Basic information
- CAS
30863-06-0- Standard SMILES
CCN(CC)C(=S)Sc1nc(Cl)nc(SC(=S)N(CC)CC)n1- InChIKey
AUXDXNKROYGKLS-UHFFFAOYSA-N- Molecular formula
- C13H20ClN5S4
- Average molar mass
- 410.1 g/mol
- Monoisotopic mass
- 409.029008
Names & identifiers
- Preferred name
- [4-chloro-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate
- IUPAC
- [4-chloro-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate
Names & synonyms
[4-chloro-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate30863-06-0DTXSID402753166-chloro-1,3,5-triazine-2,4-diyl bis(diethylcarbamodithioate)
Database identifiers
- CAS
30863-06-0- PubChem CID
- 35541
- DTXSID
DTXSID40275316- Nikkaji
- J1.615.112B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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