Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester
Basic information
- CAS
82846-53-5- Standard SMILES
CCN(CC)C(=S)SC(C)N(CC)N=O- InChIKey
XQQHJTPIYCMLQD-UHFFFAOYSA-N- Molecular formula
- C9H19N3OS2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.09695459
Names & identifiers
- Preferred name
- Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl ester
- IUPAC
- 1-[ethyl(nitroso)amino]ethyl N,N-diethylcarbamodithioate
- English name
- N,N-diethyl-1-[1-(ethyl-nitroso-amino)ethylsulfanyl]methanethioamide
- Molecular formula
- C9H19N3OS2
- Molecular weight
- 0
Names & synonyms
82846-53-5Diethyldithiocarbamic acid 1-(ethylnitrosamino)ethyl esterCARBAMIC ACID, DIETHYLDITHIO-, 1-(ETHYLNITROSAMINO)ETHYL ESTERDTXSID7010029591-[Ethyl(nitroso)amino]ethyl diethylcarbamodithioateN,N-diethyl-1-[1-(ethyl-nitroso-amino)ethylsulfanyl]methanethioamide
Database identifiers
- CAS
82846-53-5- PubChem CID
- 54927
- DTXSID
DTXSID701002959- Nikkaji
- J67.568G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…