2-[2-amino-4-(diethylamino)-6-oxo-1,3,5-triazin-1-yl]ethyl N,N-dimethylcarbamodithioate
Basic information
- CAS
328012-97-1- Standard SMILES
CCN(CC)c1nc(N)n(CCSC(=S)N(C)C)c(=O)n1- InChIKey
UUZOYBQLJRCRJG-UHFFFAOYSA-N- Molecular formula
- C12H22N6OS2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.12965169
Names & identifiers
- Preferred name
- 2-[2-amino-4-(diethylamino)-6-oxo-1,3,5-triazin-1-yl]ethyl N,N-dimethylcarbamodithioate
- IUPAC
- 2-[2-amino-4-(diethylamino)-6-oxo-1,3,5-triazin-1-yl]ethyl N,N-dimethylcarbamodithioate
Names & synonyms
2-(6-amino-4-(diethylamino)-2-oxo-1,3,5-triazin-1(2H)-yl)ethyl dimethylcarbamodithioate2-[6-amino-4-(diethylamino)-2-oxo-1,3,5-triazin-1(2H)-yl]ethyl dimethylcarbamodithioate2-[2-amino-4-(diethylamino)-6-oxo-1,3,5-triazin-1-yl]ethyl N,N-dimethylcarbamodithioateOprea1_417010328012-97-1MLS000779647CHEMBL1586008DTXSID901324767HMS2785M23AKOS022109998SMR000419830Dimethyl-dithiocarbamic acid 2-(6-amino-4-diethylamino-2-oxo-2H-[1,3,5]triazin-1-yl)-ethyl ester
Database identifiers
- CAS
328012-97-1- PubChem CID
- 911600
- DTXSID
DTXSID901324767- ChEMBL
CHEMBL1586008
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Solubility45.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…