Basic information
- CAS
4794-41-6- Standard SMILES
O=C=NS(=O)(=O)CCCl- InChIKey
GIWHJVQUZDWFDI-UHFFFAOYSA-N- Molecular formula
- C3H4ClNO3S
- Average molar mass
- 169.59 g/mol
- Monoisotopic mass
- 168.96004167
Names & identifiers
- Preferred name
- 2-Chloroethanesulphonyl isocyanate
- IUPAC
- 2-chloro-N-(oxomethylidene)ethanesulfonamide
- English name
- 2-chloroethanesulphonyl isocyanate
- Molecular formula
- C3H4ClNO3S
- Molecular weight
- 169.59
Names & synonyms
4794-41-62-Chloroethanesulphonyl isocyanate2-CHLOROETHANE-1-SULFONYL ISOCYANATEZ4B6WK7RYWEINECS 225-350-3UNII-Z4B6WK7RYWSCHEMBL10780891DTXSID00197363beta-chlorethylsulphonyl isocyanateAKOS006384036.BETA.-CHLOROETHYLSULFONYLISOCYANATEETHANESULFONYL ISOCYANATE, 2-CHLORO-
Show more names
2-Chloroethylsulfonyl isocyanate2-Chloroethanesulfonyl isocyanate
NS00031743EN300-7610851
Database identifiers
- CAS
4794-41-6- PubChem CID
- 78523
- DTXSID
DTXSID00197363- UNII
- Z4B6WK7RYW
- EC Number
- 225-350-3
- Nikkaji
- J262.460E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 63 · 63-68 °C(Press: 0.3 Torr)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- FDA UNII
- 4 B6WK7RYW · Z4B6WK7RYW
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
1 records
Compound notes
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