51066-54-7

Basic information

• Product Name: sodium thiobenzoate
• Synonyms: sodium thiobenzoate;Thiobenzoic acid S-sodium salt
• CAS NO: 51066-54-7
• Molecular Formula: C₇H₅OS*Na
• Molecular Weight: 160.16877
• EINECS: 256-944-0
• Mol File: 51066-54-7.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 259.3°Cat760mmHg
• Flash Point: 110.6°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 0.00667mmHg at 25°C
• CAS DataBase Reference: sodium thiobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium thiobenzoate(51066-54-7)
• EPA Substance Registry System: sodium thiobenzoate(51066-54-7)

Safety Data

• Hazardous Substances Data: 51066-54-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H6OS.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

Upstream product

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Relevant articles and documents

Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and silver

Novel heterobimetallic complexes, [(PPh3)2Ag(μ- SCOth)2Zn(SCOth)(H2O)] (1) and {[(PPh3) 2Ag(μ-SCOPh)2Zn(SCOPh)(H2O)][(PPh 3)2Ag(μ-SCOPh)Zn(SCOPh)2]} (2) have been prepared and characterized by FTIR, 1H, 13C and 31P NMR spectroscopy. Molecular structures of the complexes have been determined by single crystal X-ray diffraction technique. In these complexes the two metal atoms (Ag and Zn) are held together by bridging (μ-S or μ-O,S) thiocaboxylate groups. The terminal thiocarboxylate ligand binds monodentately (through S) in 1. Structure of 2 is unique as two different molecules, [(PPh3)2Ag(μ-SCOPh)Zn(SCOPh)2] and [(PPh3)2Ag(μ-SCOPh)2Zn(SCOPh)H 2O] co-crystallize in the same lattice. The terminal thiocarboxylate ligand is monodentate (S) in the latter while bidentate (O,S) in the former molecule. Electronic spectral behaviors of the complexes have been explained by TDDFT calculations. Luminescence properties of both have been studied in solid state.

Effect of modification of the electrophilic center on the α effect

We report on a nucleophilic study of esters R-C(=X)-Y-Ar in which the electrophilic center has been modified by replacing O by S in the leaving group or carbonyl center: 4-nitrophenyl acetate (1), S-4-nitrophenyl thioacetate (2), 4-nitrophenyl benzoate (3), and O-4-nitrophenyl thionobenzoate (4). The studies include O- and S- nucleophiles as well as α nucleophiles in H2O at 25.0 ± 0.1°C. The sulfur nucleophile (4-chlorothiophenoxide, 4-ClPhS-) exhibits significant enhanced reactivity for the reactions with thiol and thione esters 2 and 4 compared with their oxygen analogues 1 and 3. On the contrary, the common nucleophile OH- is much less reactive towards 2 and 4 compared with 1 and 3. The effect of changing both the electrophilic center and the nucleofugic center on the reactivity of the other oxygen nucleophiles is not so significant: 4-chlorophenoxide (4-ClPhO-) is four to six times more reactive in the reactions with thiol and thione esters 2 and 4 compared with their oxygen analogues 1 and 3. The α effects exhibited by butan-2,3-dione monoximate (Ox-) and HOO- are strongly dependent on the nature of the electrophilic center of the substrates, indicating that the difference in the ground-state solvation energy cannot be fully responsible for the α effect. Our results clearly emphasize the strong dependence of the α effect on the substrate structure, notably, the nature of the electrophilic center. The impact of change in the nucleofuge (1-→2) and the electrophilic center (3-→4) on reactivity indicates that anucleophiles will need to be "purpose built" for decontamination and nucleophilic degradation of specific biocides.

N-Heterocyclyl-N-cyano-N-(heterocyclythioalkyl)-guanidines

Compounds of formula I and salts thereof which are orally pharmacologically active as inhibitors of gastric secretion are disclosed.