Basic information
- CAS
30863-05-9- Standard SMILES
CN(C)C(=S)Sc1nc(Cl)nc(SC(=S)N(C)C)n1- InChIKey
YOUKMELUIJMIGH-UHFFFAOYSA-N- Molecular formula
- C9H12ClN5S4
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 352.9664078
Names & identifiers
- Preferred name
- [4-chloro-6-(dimethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate
- IUPAC
- [4-chloro-6-(dimethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate
Names & synonyms
[4-chloro-6-(dimethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-dimethylcarbamodithioate30863-05-9DTXSID802753156-chloro-1,3,5-triazine-2,4-diyl bis(dimethylcarbamodithioate)
Database identifiers
- CAS
30863-05-9- PubChem CID
- 35540
- DTXSID
DTXSID80275315- Nikkaji
- J1.615.104A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…