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Substance Name: Thioacetic acid
RN: 507-09-5
UNII: PS92MLC0FQ
InChIKey: DUYAAUVXQSMXQP-UHFFFAOYSA-N

Molecular Formula

  • C2-H4-O-S

Molecular Weight

  • 76.1186
 
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Names and Synonyms

Name of Substance

  • Thioacetic acid

Synonyms

  • Acetyl mercaptan
  • AI3-37251
  • EC 208-063-8
  • EINECS 208-063-8
  • Ethanethioic acid
  • Ethanethiolic acid
  • Kyselina thiooctova
  • Kyselina thiooctova [Czech]
  • Methanecarbothiolic acid
  • Thiacetic acid
  • Thiolacetic acid
  • Thionoacetic acid
  • UNII-PS92MLC0FQ
  • USAF EK-P-737

Systematic Names

  • Acetic acid, thio-
  • Ethanethioic acid
  • Thioacetic acid

Superlist Names

  • Thioacetic acid [UN2436] [Flammable liquid]
  • UN2436

Registry Numbers

CAS Registry Number

  • 507-09-5

FDA UNII

  • PS92MLC0FQ

Other Registry Numbers

  • 1356190-88-9
  • 196320-91-9
  • 531524-45-5
  • 531524-48-8

Related Registry Numbers

  • 10387-40-3 (potassium salt)
  • 34832-35-4 (hydrochloride salt)

System Generated Number

  • 0000507095

Structure Descriptors

InChI

InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

InChIKey

DUYAAUVXQSMXQP-UHFFFAOYSA-N

Smiles

CC(=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.70E+01 deg C   EXP
Boiling Point 93 deg C   EXP
log P (octanol-water) 0.140 (none)   EST
Atmospheric OH Rate Constant 1.20E-11 cm3/molecule-sec 25 EST

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