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Substance Name: Propane, 2-isothiocyanato-2-methyl-
RN: 590-42-1
InChIKey: ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-N-S

Molecular Weight

  • 115.199
 
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Names and Synonyms

Synonym

  • EINECS 209-682-6

Systematic Names

  • Propane, 2-isothiocyanato-2-methyl-
  • tert-Butyl isothiocyanate

Registry Numbers

CAS Registry Number

  • 590-42-1

System Generated Number

  • 0000590421

Structure Descriptors

InChI

1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

InChIKey

ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Smiles

N(C(C)(C)C)=C=S

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 10.5 deg C   EXP
Boiling Point 140 deg C   EXP
log P (octanol-water) 2.660 (none)   EST
Atmospheric OH Rate Constant 5.02E-13 cm3/molecule-sec 25 EST

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