Basic information
- CAS
80254-36-0- Standard SMILES
Cc1c(N(C)c2ccccc2)c(=S)n(C)c(=S)n1C- InChIKey
WQRWZQZTIBCSDB-UHFFFAOYSA-N- Molecular formula
- C14H17N3S2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.0863899
Names & identifiers
- Preferred name
- 1,3,6-trimethyl-5-(N-methylanilino)pyrimidine-2,4-dithione
- IUPAC
- 1,3,6-trimethyl-5-(N-methylanilino)pyrimidine-2,4-dithione
Names & synonyms
NSC35428280254-36-0DTXSID30320046NSC-3542821,3,6-Trimethyl-5-[methyl(phenyl)amino]pyrimidine-2,4(1H,3H)-dithione
Database identifiers
- CAS
80254-36-0- PubChem CID
- 337185
- DTXSID
DTXSID30320046
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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