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Substance Name: Ethyl isothiocyanate
RN: 542-85-8
UNII: 3284MJ2T8P
InChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-N
Classification Code
- Mutation Data
Molecular Formula
- C3-H5-N-S
Molecular Weight
- 87.1455
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Names and Synonyms
Name of Substance
- Ethyl isothiocyanate
Synonyms
- AI3-18428
- CCRIS 7323
- EINECS 208-831-2
- Ethyl isothiocyanate
- Ethyl mustard oil
- Isothiocyanatoethane
- NSC 84212
- UNII-3284MJ2T8P
Systematic Names
- Ethane, isothiocyanato-
- Ethyl isothiocyanate
- Isothiocyanic acid, ethyl ester
Registry Numbers
CAS Registry Number
- 542-85-8
FDA UNII
- 3284MJ2T8P
System Generated Number
- 0000542858
Structure Descriptors
InChI
InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3InChIKey
HBNYJWAFDZLWRS-UHFFFAOYSA-NSmiles
CCN=C=SPhysical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.90E+00 | deg C | EXP | |
| Boiling Point | 131.5 | deg C | EXP | |
| log P (octanol-water) | 1.47 | (none) | EXP | |
| Water Solubility | 7020 | mg/L | 25 | EST |
| Vapor Pressure | 11.4 | mm Hg | 25 | EXP |
| Henry's Law Constant | 4.13E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.10E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.