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Substance Name: Acetonitrile, (phenylthio)-
RN: 5219-61-4
InChIKey: QMJWPWCKRKHUNY-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-S

Molecular Weight

  • 149.216
 
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Names and Synonyms

Synonyms

  • (Phenylthio)acetonitrile
  • 4-06-00-01538 (Beilstein Handbook Reference)
  • BRN 2042078
  • Cyanomethyl phenyl sulfide
  • EINECS 226-013-3
  • Phenylmercaptoacetonitrile

Systematic Names

  • (Phenylthio)acetonitrile
  • Acetonitrile, (phenylthio)-

Registry Numbers

CAS Registry Number

  • 5219-61-4

System Generated Number

  • 0005219614

Structure Descriptors

InChI

1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2

InChIKey

QMJWPWCKRKHUNY-UHFFFAOYSA-N

Smiles

N#CCSc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 470mg/kg (470mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.