Basic information
- CAS
63915-54-8- Standard SMILES
C[NH+](CCSCCCl)CCSCCCl.[Cl-]- InChIKey
NNCHXAZSMNAKKC-UHFFFAOYSA-N- Molecular formula
- C9H20Cl3NS2
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 311.010275
Names & identifiers
- Preferred name
- Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride
- IUPAC
- bis[2-(2-chloroethylsulfanyl)ethyl]-methylazanium chloride
Names & synonyms
Methylbis(beta-chloroethylthioethyl)amine hydrochlorideTL 1002Methyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochlorideDiethylamine, 2,2'-bis(2-chloroethylmercapto)-N-methyl-, hydrochlorideDIETHYLAMINE, 2,2'-BIS(2-CHLOROETHYLTHIO)-N-METHYL-, HYDROCHLORIDE63915-54-8RefChem:338119
Database identifiers
- CAS
63915-54-8- PubChem CID
- 45200
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 105
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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