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Substance Name: (o-Carboxyphenylthio)acetic acid
RN: 135-13-7
UNII: P2T1UOX9U3
InChIKey: GMBZSYUPMWCDGK-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O4-S

Molecular Weight

  • 212.224
 
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Names and Synonyms

Name of Substance

  • (o-Carboxyphenylthio)acetic acid

Synonyms

  • (2-Carboxymethylthio)benzoic acid
  • (o-Carboxyphenylmercapto)acetic acid
  • (o-Carboxyphenylthio)acetic acid
  • 2-Carboxyphenylthioglycolic acid
  • 4-10-00-00278 (Beilstein Handbook Reference)
  • Acetic acid,(2-carboxyphenyl)thio-
  • Benzoic acid, (2-(carboxymethyl)thio)-
  • BRN 2109941
  • EINECS 205-178-5
  • NSC 379
  • o-((Carboxymethyl)thio)benzoic acid
  • o-Carboxyphenylthioglycollic acid
  • UNII-P2T1UOX9U3

Systematic Names

  • 2-((Carboxymethyl)thio)benzoic acid
  • Benzoic acid, (2-carboxymethylthio)-
  • Benzoic acid, o-((carboxymethyl)thio)- (8CI)

Registry Numbers

CAS Registry Number

  • 135-13-7

FDA UNII

  • P2T1UOX9U3

System Generated Number

  • 0000135137

Structure Descriptors

InChI

1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

InChIKey

GMBZSYUPMWCDGK-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)SCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00457,