Basic information
- CAS
18997-75-6- Standard SMILES
CN(C)CCN(C)C(=S)S- InChIKey
GITCCQFMTCHPAC-UHFFFAOYSA-N- Molecular formula
- C6H14N2S2
- Average molar mass
- 178.3 g/mol
- Monoisotopic mass
- 178.0598408
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-(dimethylamino)ethyl)dithio-N-methyl-
- IUPAC
- 2-(dimethylamino)ethyl-methylcarbamodithioic acid
- English name
- N-[2-(Dimethylamino)ethyl]-N-methylcarbamodithioic acid
- Molecular formula
- C6H14N2S2
- Molecular weight
- 178.32
Names & synonyms
18997-75-6BRN 1929268CARBAMIC ACID, N-(2-(DIMETHYLAMINO)ETHYL)DITHIO-N-METHYL-N-(2-Dimethylaminoethyl)-N-methyldithiocarbamic acidN-(2-(Dimethylamino)ethyl)dithio-N-methylcarbamic acidDTXSID00172438RefChem:332632DTXCID7094929N-[2-(Dimethylamino)ethyl]-N-methylcarbamodithioic acid2-(dimethylamino)ethyl-methylcarbamodithioic acidSCHEMBL28451995[2-(Dimethylamino)ethyl](methyl)carbamodithioic acid
Show more names
Carbamodithioic acid, [2-(dimethylamino)ethyl]methyl- (9CI)
Database identifiers
- CAS
18997-75-6- PubChem CID
- 29372
- DTXSID
DTXSID00172438- Nikkaji
- J42.886H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 217.7 · 217.7±42.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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