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Substance Name: Propyl isothiocyanate
RN: 628-30-8
InChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-N-S

Molecular Weight

  • 101.172
 
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Names and Synonyms

Synonyms

  • AI3-37783
  • EINECS 211-035-8

Systematic Names

  • Propane, 1-isothiocyanato-
  • Propyl isothiocyanate

Registry Numbers

CAS Registry Number

  • 628-30-8

System Generated Number

  • 0000628308

Structure Descriptors

InChI

1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3

InChIKey

KKASGUHLXWAKEZ-UHFFFAOYSA-N

Smiles

S=C=NCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 153 deg C   EXP
log P (octanol-water) 2.280 (none)   EST
Atmospheric OH Rate Constant 2.46E-12 cm3/molecule-sec 25 EST

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