|
|
|
Substance Name: Butyl isothiocyanate
RN: 592-82-5
UNII: 4Y31800S6C
InChIKey: LIMQQADUEULBSO-UHFFFAOYSA-N
Classification Code
- Mutation Data
Molecular Formula
- C5-H9-N-S
Molecular Weight
- 115.199
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Butyl isothiocyanate
Synonyms
- 1-Isothiocyanatobutane
- AI3-18424
- Butyl isothiocyanate
- Butyl mustard oil
- EINECS 209-770-4
- n-Butyl isothiocyanate
- NSC 194808
- UNII-4Y31800S6C
Systematic Names
- Butane, 1-isothiocyanato-
- Butyl isothiocyanate
- Isothiocyanic acid, butyl ester
Registry Numbers
CAS Registry Number
- 592-82-5
FDA UNII
- 4Y31800S6C
System Generated Number
- 0000592825
Structure Descriptors
InChI
InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3InChIKey
LIMQQADUEULBSO-UHFFFAOYSA-NSmiles
CCCCN=C=SPhysical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 168 | deg C | EXP | |
| log P (octanol-water) | 2.92 | (none) | EXP | |
| Water Solubility | 335 | mg/L | 25 | EST |
| Vapor Pressure | 2.550 | mm Hg | 25 | EST |
| Henry's Law Constant | 7.27E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 3.88E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.