Basic information
- CAS
18895-89-1- Standard SMILES
CCOP(=S)(OCC)Sc1nc(Cl)nc(SP(=S)(OCC)OCC)n1- InChIKey
QDNDVZLJLWGSMP-UHFFFAOYSA-N- Molecular formula
- C11H20ClN3O4P2S4
- Average molar mass
- 484 g/mol
- Monoisotopic mass
- 482.9500425
Names & identifiers
- Preferred name
- 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine
- IUPAC
- (4-chloro-6-diethoxyphosphinothioylsulfanyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
18895-89-1AGN-PC-0JKKNJDTXSID102748716-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazineS,S'-(6-chloro-1,3,5-triazine-2,4-diyl) O,O,O',O'-tetraethyl bis(phosphorodithioate)
Database identifiers
- CAS
18895-89-1- PubChem CID
- 29330
- DTXSID
DTXSID10274871- Nikkaji
- J1.567.291I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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