Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-
Basic information
- CAS
95239-71-7- Standard SMILES
N#Cc1ccc(NN=NCCSCCCl)cc1- InChIKey
WEZKDAPIAALMSQ-UHFFFAOYSA-N- Molecular formula
- C11H13ClN4S
- Average molar mass
- 268.77 g/mol
- Monoisotopic mass
- 268.0549453
Names & identifiers
- Preferred name
- Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-
- IUPAC
- 4-[2-[2-(2-chloroethylsulfanyl)ethylimino]hydrazinyl]benzonitrile
Names & synonyms
Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-95239-71-7NSC313421DTXSID90317255NSC-3134214-[(2E)-3-{2-[(2-Chloroethyl)sulfanyl]ethyl}triaz-2-en-1-yl]benzonitrile
Database identifiers
- CAS
95239-71-7- PubChem CID
- 329631
- DTXSID
DTXSID90317255
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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