Basic information
- CAS
30863-11-7- Standard SMILES
CCN(CC)C(=S)Sc1nc(SC(=S)N(CC)CC)nc(N(CC)CC)n1- InChIKey
OYHLBTGDOSPZKH-UHFFFAOYSA-N- Molecular formula
- C17H30N6S4
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.14147968
Names & identifiers
- Preferred name
- [4-(diethylamino)-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate
- IUPAC
- [4-(diethylamino)-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate
Names & synonyms
[4-(diethylamino)-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate30863-11-7DTXSID002753176-(diethylamino)-1,3,5-triazine-2,4-diyl bis(diethylcarbamodithioate)
Database identifiers
- CAS
30863-11-7- PubChem CID
- 35546
- DTXSID
DTXSID00275317- Nikkaji
- J1.615.157B
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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