Benzoic acid, thio-, S-phenyl ester

Modify Date: 2025-08-22 15:48:33

Benzoic acid, thio-, S-phenyl ester structure	Common Name	Benzoic acid, thio-, S-phenyl ester
	CAS Number	884-09-3	Molecular Weight	214.28300
	Density	1.2g/cm3	Boiling Point	316.7ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₀OS	Melting Point	N/A
	MSDS	N/A	Flash Point	135.1ºC

Name	S-phenyl benzenecarbothioate
Synonym	More Synonyms

Density	1.2g/cm3
Boiling Point	316.7ºC at 760 mmHg
Molecular Formula	C₁₃H₁₀OS
Molecular Weight	214.28300
Flash Point	135.1ºC
Exact Mass	214.04500
PSA	42.37000
LogP	3.61910
Index of Refraction	1.64
InChIKey	VCQYDZJGTXAFRL-UHFFFAOYSA-N
SMILES	O=C(Sc1ccccc1)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH6917500

CHEMICAL NAME :: Benzoic acid, thio-, S-phenyl ester

CAS REGISTRY NUMBER :: 884-09-3

BEILSTEIN REFERENCE NO. :: 2047040

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H10-O-S

MOLECULAR WEIGHT :: 214.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,1179,1969

Precursor 10
CAS#:98-88-4 Benzoyl chloride CAS#:882-33-7 Diphenyl disulfide CAS#:108-98-5 Thiophenol CAS#:93-97-0 Benzoic anhydride
CAS#:100-52-7 Benzaldehyde CAS#:4231-62-3 (1H-Benzo[d][1,... CAS#:65-85-0 benzoic acid CAS#:201230-82-2 carbon monoxide
CAS#:591-50-4 Iodobenzene CAS#:143565-02-0 Te-(4-fluorophe...
DownStream 10
CAS#:93-55-0 Phenyl ethyl ketone CAS#:20129-23-1 (butyldisulfany... CAS#:7269-35-4 S-Butyl Thiobenzoate CAS#:882-33-7 Diphenyl disulfide
CAS#:7338-94-5 2-Propyn-1-one,... CAS#:139-66-2 Diphenylsulfid CAS#:92-52-4 Biphenyl CAS#:108-98-5 Thiophenol
CAS#:65-85-0 benzoic acid CAS#:92-85-3 Thianthrene

Benzenecarbothioic acid,S-phenyl ester

Benzoic acid,thio-,S-phenyl ester

benzoyl phenyl sulfide

phenyl phenylthio ketone

S-Phenyl thiobenzoate

S-phenyl benzothioate

S-phenyl benzothioathe

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