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Substance Name: Benzoxazole-2-thione
RN: 2382-96-9
UNII: 7PFU48RAFX
InChIKey: FLFWJIBUZQARMD-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O-S

Molecular Weight

  • 151.1885
 
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Names and Synonyms

Name of Substance

  • Benzoxazole-2-thione

Synonyms

  • 2(3H)-Benzoxazolethione
  • 2-Benzoxazolethione
  • 2-Benzoxazolinethione
  • 2-Benzoxazolylthiol
  • 2-Mercapto-1,3-benzoxazole
  • 2-Mercaptobenzoxazole
  • AI3-18637
  • Benzoxazole, 2-mercapto-
  • Benzoxazolinethione
  • EINECS 219-191-9
  • NSC 209084
  • NSC 2128
  • UNII-7PFU48RAFX

Systematic Names

  • 2(3H)-Benzoxazolethione
  • 2-Benzoxazolinethione (7CI)
  • Benzoxazole-2-thiol

Registry Numbers

CAS Registry Number

  • 2382-96-9

FDA UNII

  • 7PFU48RAFX

Other Registry Number

  • 14955-23-8

System Generated Number

  • 0002382969

Structure Descriptors

InChI

1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)

InChIKey

FLFWJIBUZQARMD-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(o2)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04482,
rat LDLo oral 3400mg/kg (3400mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0571529,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.410 (none)   EST
Water Solubility 1000 mg/L 25 EXP
Atmospheric OH Rate Constant 5.22E-11 cm3/molecule-sec 25 EST

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