N-(2-Cyanoethyl)-N-cyclohexyl-2-benzothiazolesulfenamide
Basic information
- CAS
5873-49-4- Standard SMILES
N#CCCN(Sc1nc2ccccc2s1)C1CCCCC1- InChIKey
YZMCAECVXWKYPA-UHFFFAOYSA-N- Molecular formula
- C16H19N3S2
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.10203997
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)-N-cyclohexyl-2-benzothiazolesulfenamide
- IUPAC
- 3-[1,3-benzothiazol-2-ylsulfanyl(cyclohexyl)amino]propanenitrile
Names & synonyms
DTXSID601202342N-(2-Cyanoethyl)-N-cyclohexyl-2-benzothiazolesulfenamide3-{[(1,3-Benzothiazol-2-yl)sulfanyl](cyclohexyl)amino}propanenitrile5873-49-4
Database identifiers
- CAS
5873-49-4- PubChem CID
- 165354841
- DTXSID
DTXSID601202342
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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