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Substance Name: 2-Butyl isothiocyanate
RN: 4426-79-3
UNII: 126JI237AW
InChIKey: TUFJIDJGIQOYFY-UHFFFAOYSA-N
Molecular Formula
- C5-H9-N-S
Molecular Weight
- 115.199
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Names and Synonyms
Name of Substance
- 2-Butyl isothiocyanate
Synonyms
- EINECS 224-609-8
- UNII-126JI237AW
Systematic Name
- sec-Butyl isothiocyanate
Registry Numbers
CAS Registry Number
- 4426-79-3
FDA UNII
- 126JI237AW
System Generated Number
- 0004426793
Structure Descriptors
InChI
InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3InChIKey
TUFJIDJGIQOYFY-UHFFFAOYSA-NSmiles
CCC(C)Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 2.81 | (none) | EXP | |
Water Solubility | 416 | mg/L | 25 | EST |
Vapor Pressure | 4.730 | mm Hg | 25 | EST |
Henry's Law Constant | 7.27E-03 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.87E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.