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3-Benzoylthiazolidine-2-thione

$96

  • Brand : BIOFRON

  • Catalogue Number : BN-O1141

  • Specification : 98%(HPLC)

  • CAS number : 70326-37-3

  • Formula : C10H9NOS2

  • Molecular Weight : 223.3

  • PUBCHEM ID : 839954

  • Volume : 5mg

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Catalogue Number

BN-O1141

Analysis Method

Specification

98%(HPLC)

Storage

2-8°C

Molecular Weight

223.3

Appearance

Botanical Source

Structure Type

Category

SMILES

C1CSC(=S)N1C(=O)C2=CC=CC=C2

Synonyms

phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

IUPAC Name

phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

Density

1.39

Solubility

Flash Point

Boiling Point

Melting Point

113-114℃

InChl

InChl Key

NWKQMWLTQNBOHI-UHFFFAOYSA-N

WGK Germany

RID/ADR

HS Code Reference

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:70326-37-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

28750091

Abstract

In this paper, we propose a software reliability model that considers not only error generation but also fault removal efficiency combined with testing coverage information based on a nonhomogeneous Poisson process (NHPP). During the past four decades, many software reliability growth models (SRGMs) based on NHPP have been proposed to estimate the software reliability measures, most of which have the same following agreements: 1) it is a common phenomenon that during the testing phase, the fault detection rate always changes; 2) as a result of imperfect debugging, fault removal has been related to a fault re-introduction rate. But there are few SRGMs in the literature that differentiate between fault detection and fault removal, i.e. they seldom consider the imperfect fault removal efficiency. But in practical software developing process, fault removal efficiency cannot always be perfect, i.e. the failures detected might not be removed completely and the original faults might still exist and new faults might be introduced meanwhile, which is referred to as imperfect debugging phenomenon. In this study, a model aiming to incorporate fault introduction rate, fault removal efficiency and testing coverage into software reliability evaluation is developed, using testing coverage to express the fault detection rate and using fault removal efficiency to consider the fault repair. We compare the performance of the proposed model with several existing NHPP SRGMs using three sets of real failure data based on five criteria. The results exhibit that the model can give a better fitting and predictive performance.

Title

A testing-coverage software reliability model considering fault removal efficiency and error generation

Author

Qiuying Li, Conceptualization, Data curation, Formal analysis, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing - original draft, Writing - review & editing1,2,* and Hoang Pham, Conceptualization, Writing - review & editing3 Miguel A Fernandez, Editor

Publish date

2017;

PMID

30225130

Abstract

A large number of structural determinations of compounds containing 2-hy­droxy-3,5-di­nitro­benzoic acid (I) and its various deprotonated forms, 2-hy­droxy-3,5-di­nitro­benzoate (II) or 2-carb­oxy-4,6-di­nitro­phenolate (III), are biased. The reason for the bias follows from incorrectly applied constraints or restraints on the bridging hydrogen, which is involved in the intra­molecular hydrogen bond between the neighbouring carb­oxy­lic/carboxyl­ate and oxo/hy­droxy groups. This hydrogen bond belongs to the category of resonance-assisted hydrogen bonds. The present article suggests corrections for the following structure determinations that have been published in Acta Crystallographica: DUJZAK, JEVNAA, LUDFUL, NUQVEB, QIQJAD, SAFGUD, SEDKET, TIYZIM, TUJPEV, VABZIJ, WADXOR, YAXPOE [refcodes are taken from the Cambridge Structural Database [CSD; Groom et al. (2016 ▸). Acta Cryst. B72, 171-179]. The structural features of the title mol­ecules in all the retrieved structures, together with structures that contain 3,5-di­nitro-2-oxidobenzoate (IV), are discussed. Attention is paid to the localization of the above-mentioned bridging hydrogen, which can be situated closer to the O atom of the carboxyl­ate/carb­oxy­lic group or that of the hy­droxy/oxo group. In some cases, it is disordered between the two O atoms. The position of the bridging hydrogen seems to be dependent on the pK a(base) although with exceptions. A stronger basicity enhances the probability of the presence of a phenolate (III). The present article examines the problem of the refinement of such a bridging hydrogen as well as that of the hydrogen atoms involved in the hy­droxy and primary and secondary amine groups. It appears that the best model, in many cases, is obtained by fixing the hydrogen-atom position found in the difference electron-density map while refining its isotropic displacement parameter.

KEYWORDS

crystal structure, resonance-assisted hydrogen bonds, refinement constraints, 2-hy­droxy-3,5-di­nitro­benzoic acid, 2-hy­droxy-3,5-di­nitro­benzoate, 2-carb­oxy-4,6-di­nitro­phenolate, 3,5-di­nitro-2-oxidobenzoate

Title

A resonance-assisted intra­molecular hydrogen bond in compounds containing 2-hy­droxy-3,5-di­nitro­benzoic acid and its various deprotonated forms: redetermination of several related structures

Author

Jan Fabrya,*

Publish date

2018 Sep 1

PMID

32148871

Abstract

The title pyrazine dicarboxamide ligand, N 2,N 3-bis­(quinolin-8-yl)pyrazine-2,3-dicarboxamide (H2L1), C24H16N6O2, has a twisted conformation with the outer quinoline groups being inclined to the central pyrazine ring by 9.00 (6) and 78.67 (5)°, and by 79.94 (4)° to each other. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the (10An external file that holds a picture, illustration, etc.
Object name is e-76-00332-efi1.jpg) plane, which are in turn linked by offset π-π inter­actions [inter­centroid distances 3.4779 (9) and 3.6526 (8) a], forming a supra­molecular three-dimensional structure. Reaction of the ligand H2L1 with Cu(ClO4)2 in aceto­nitrile leads to the formation of the binuclear complex, [μ-(3-{hy­droxy[(quinolin-8-yl)imino]­meth­yl}pyrazin-2-yl)[(quinolin-8-yl)imino]­methano­lato]bis­[diaceto­nitrile­copper(II)] tris­(per­chlor­ate) aceto­nitrile disolvate, [Cu2(C24H15N6O2)(CH3CN)4](ClO4)3·2CH3CN or [Cu2(HL1−)(CH3CN)4](ClO4)3·2CH3CN (I). In the cation of complex I, the ligand coordinates to the copper(II) atoms in a bis-tridentate fashion. A resonance-assisted O—H⋯O hydrogen bond is present in the ligand; the position of this H atom was located in a difference-Fourier map. Both copper(II) atoms are fivefold coordinate, being ligated by three N atoms of the ligand and by the N atoms of two aceto­nitrile mol­ecules. The first copper atom has a perfect square-pyramidal geometry while the second copper atom has a distorted shape. In the crystal, the cation and perchlorate anions are linked by a number of C—H⋯O hydrogen bonds, forming a supra­molecular three-dimensional structure.

KEYWORDS

crystal structure, pyrazine, dicarboxamide, quinoline, copper(II), bis-tridentate coordination, hydrogen bonding, offset π-π inter­actions, Hirshfeld surface analysis

Title

Syntheses and crystal structures of a new pyrazine dicarboxamide ligand, N 2,N 3-bis­(quinolin-8-yl)pyrazine-2,3-dicarboxamide, and of a copper perchlorate binuclear complex

Author

Dilovan S. Catia and Helen Stoeckli-Evansb,*

Publish date

2020 Mar 1


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