Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride
Basic information
- CAS
63951-07-5- Standard SMILES
ClCCSCC[NH+](CCSCCCl)c1ccccc1.[Cl-]- InChIKey
YGIILZUAYFBBMZ-UHFFFAOYSA-N- Molecular formula
- C14H22Cl3NS2
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 373.025925
Names & identifiers
- Preferred name
- Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride
- IUPAC
- bis[2-(2-chloroethylsulfanyl)ethyl]-phenylazanium chloride
Names & synonyms
Phenyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochlorideANILINE, N,N-BIS(2-(2-CHLOROETHYLTHIO)ETHYL)-, HYDROCHLORIDE63951-07-5RefChem:319627
Database identifiers
- CAS
63951-07-5- PubChem CID
- 45632
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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