Basic information
- CAS
14991-93-6- Standard SMILES
CCOP(=S)(OCC)Sc1nc(Cl)nc(Cl)n1- InChIKey
VRLGHZDEYIMSBO-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2N3O2PS2
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 332.9329113
Names & identifiers
- Preferred name
- (4,6-Dichloro-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
- IUPAC
- (4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
14991-93-6AC1L1CATDTXSID60274821S-(4,6-dichloro-1,3,5-triazin-2-yl) O,O-diethyl phosphorodithioate(4,6-Dichloro-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Database identifiers
- CAS
14991-93-6- PubChem CID
- 26992
- DTXSID
DTXSID60274821- Nikkaji
- J1.564.809K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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