Sodium thiophenolate - CAS 930-69-8

Catalog:	BB040761
Product Name:	Sodium thiophenolate
CAS:	930-69-8
Synonyms:	sodium;benzenethiolate

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	sodium;benzenethiolate
Description:	Sodium thiophenolate (CAS# 930-69-8) is a useful reagent used in the synthesis of Fonofos (F684000).
Molecular Weight:	132.16
Molecular Formula:	C6H5NaS
Canonical SMILES:	C1=CC=C(C=C1)[S-].[Na+]
InChI:	InChI=1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChI Key:	RZWQDAUIUBVCDD-UHFFFAOYSA-M
Boiling Point:	169.1 °C at 760 mmHg
Melting Point:	>300 °C
Purity:	95 %
Density:	1.079 g/cm³
Appearance:	White to yellow to beige powder
LogP:	2.24300

Publication Number	Title	Priority Date
CN-113248445-A	Synthesis method of fenbendazole	20210628
CN-113248445-B	Synthesis method of fenbendazole	20210628
CN-113416198-A	Fused polycyclic pyridone derivative and application thereof	20210524
CN-112939933-A	Thiactide monomer based on lactic acid or amino acid, recoverable polythioester and preparation method	20210226
CN-112898312-A	Fused polycyclic pyridone derivative and application thereof	20210129

PMID	Publication Date	Title	Journal
20863112	20101015	Regio- and enantioselective iridium-catalyzed allylation of thiophenol: synthesis of enantiopure allyl phenyl sulfides	Organic letters
19503933	20090621	Synthesis of macrocyclic precursors of phomactins using [2,3]-Wittig rearrangements	Organic & biomolecular chemistry
19140689	20090216	Synthesis, electrochemistry, photophysics, and solvatochromism in new cyclometalated 6-phenyl-4-(p-R-phenyl)-2,2'-bipyridyl (R = Me, COOMe, P(O)(OEt)2) (C--N--N) platinum(II) thiophenolate chromophores	Inorganic chemistry
11749533	20011226	Embracing C(60) with multiarmed geodesic partners	Journal of the American Chemical Society

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1879-16-9]
4-Methoxythioanisole

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	50.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.00096561
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.00096561
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0