(Butane-1-sulfonyl)methyl thiocyanate
Basic information
- CAS
27617-57-8- Standard SMILES
CCCCS(=O)(=O)CSC#N- InChIKey
YWRSHMAPBSDRGE-UHFFFAOYSA-N- Molecular formula
- C6H11NO2S2
- Average molar mass
- 193.3 g/mol
- Monoisotopic mass
- 193.02312094
Names & identifiers
- Preferred name
- (Butane-1-sulfonyl)methyl thiocyanate
- IUPAC
- butylsulfonylmethyl thiocyanate
Names & synonyms
27617-57-8NSC 342033NSC342033(Butane-1-sulfonyl)methyl thiocyanateDTXSID003192251-(thiocyanatomethylsulfonyl)butaneNSC-342033DS-008129
Database identifiers
- CAS
27617-57-8- PubChem CID
- 334901
- DTXSID
DTXSID00319225
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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