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Substance Name: Thiodiglycollic acid
RN: 123-93-3
UNII: 483M3RG5GW
InChIKey: UVZICZIVKIMRNE-UHFFFAOYSA-N

Note

  • Vinyl chloride metabolite in urine of rats.

Molecular Formula

  • C4-H6-O4-S

Molecular Weight

  • 150.1534
 
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Names and Synonyms

Name of Substance

  • 2,2'-Thiobisacetic acid
  • Thiodiacetic acid
  • Thiodiglycolic acid
  • Thiodiglycollic acid

Synonyms

  • (Carboxymethylthio)acetic acid
  • 2,2'-Thiobisacetic acid
  • 2,2'-Thiodiethanoic acid
  • 2,2'-Thiodiglycolic acid
  • 4-03-00-00612 (Beilstein Handbook Reference)
  • A 6402
  • Acetic acid, 2,2'-thiobis-
  • Acetic acid, thiodi-
  • AI3-25085
  • BRN 1764392
  • Dicarboxymethyl sulfide
  • Dimethylsulfide-alpha-alpha'-dicarboxylic acid
  • EC 204-663-9
  • EINECS 204-663-9
  • HSDB 2707
  • Mercaptodiacetic acid
  • NSC 28743
  • TDGA
  • Thiodiacetic acid
  • Thiodiglycolic acid
  • Thiodiglycollic acid
  • UNII-483M3RG5GW
  • USAF CB-36
  • USAF E-2

Systematic Names

  • 2,2'-Thiobisacetic acid
  • Acetic acid, 2,2'-thiobis-
  • Acetic acid, thiodi-
  • Thiodi(acetic acid)

Registry Numbers

CAS Registry Number

  • 123-93-3

FDA UNII

  • 483M3RG5GW

System Generated Number

  • 0000123933

Structure Descriptors

InChI

1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

InChIKey

UVZICZIVKIMRNE-UHFFFAOYSA-N

Smiles

C(=O)(CSCC(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 129 deg C   EXP
log P (octanol-water) -1.160 (none)   EST
Water Solubility 4.00E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.37E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.