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Substance Name: 4-Pentenyl isothiocyanate
RN: 18060-79-2
UNII: HL8X1CRR9B
InChIKey: DBISBKDNOKIADM-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-N-S

Molecular Weight

  • 127.21
 
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Names and Synonyms

Name of Substance

  • 4-Pentenyl isothiocyanate

Synonyms

  • 4-Pentenyl isothiocyanate
  • UNII-HL8X1CRR9B

Systematic Name

  • 1-Pentene, 5-isothiocyanato-

Registry Numbers

CAS Registry Number

  • 18060-79-2

FDA UNII

  • HL8X1CRR9B

System Generated Number

  • 0018060792

Structure Descriptors

InChI

1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2

InChIKey

DBISBKDNOKIADM-UHFFFAOYSA-N

Smiles

S=C=NCCCC=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.130 (none)   EST
Water Solubility 160 mg/L 20 EXP
Atmospheric OH Rate Constant 3.00E-11 cm3/molecule-sec 25 EST

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