Benzoic acid, thio-, S-phenyl ester

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Names

[ CAS No. ]:
884-09-3

[ Name ]:
Benzoic acid, thio-, S-phenyl ester

[Synonym ]:
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

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzoyl chloride
  • Diphenyl disulfide
  • Thiophenol
  • Benzoic anhydride
  • Benzaldehyde
  • (1H-Benzo[d][1,2,3]triazol-1-yl)(phenyl)methanone
  • benzoic acid
  • carbon monoxide
  • Iodobenzene
  • Te-(4-fluorophenyl) benzotelluroate

DownStream

  • Phenyl ethyl ketone
  • (butyldisulfanyl)benzene
  • S-Butyl Thiobenzoate
  • Diphenyl disulfide
  • 2-Propyn-1-one, 1,3-diphenyl-
  • Diphenylsulfid
  • Biphenyl
  • Thiophenol
  • benzoic acid
  • Thianthrene

Related Compounds

  • Benzoic acid, thio-, S-(4-methylimidazol-2-yl) ester (8CI)
  • Butyric acid, thio-, S-ester with 1-mercapto-2-butanone
  • 4-Methoxybenzenesulfinothioic acid S-phenyl ester
  • N-Pentylcarbamothioic acid S-phenyl ester
  • 2-Butenethioic acid,S-phenyl ester
  • 4-Chlorobenzenesulfonothioic acid S-phenyl ester
  • 1-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]cyclopropan-1-amine
  • rac-(1R,2R)-2-(2-phenoxyphenyl)cyclopropane-1-carboxylic acid
  • methyl 2-(3,4-dihydro-2H-1-benzopyran-3-yl)-2-hydroxyacetate
  • (1S,3R,4R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-hydroxycyclopentane-1-carboxylic acid
  • 4-methyl-N-phenylpiperidine-4-carboxamide hydrochloride
  • 3-(2-Chloro-3,6-difluorophenoxy)azetidine
  • (2S)-N1-[7-bromo-2-(pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine trihydrochloride
  • rac-(1R,3R)-3-(2-chloro-5-fluorophenyl)-2,2-dimethylcyclopropan-1-amine
  • 4-Amino-4-(6-bromopyridin-2-yl)butanoic acid
  • 1-Fluoro-2-(1-isocyanatocyclopropyl)-3-nitrobenzene
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