(4,6-Dimethyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

HCID 35549

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Basic information

CAS: 30863-14-0
Standard SMILES: CCOP(=S)(OCC)Sc1nc(C)nc(C)n1
InChIKey: SYBJZPHIDBTCIZ-UHFFFAOYSA-N
Molecular formula: C9H16N3O2PS2
Average molar mass: 293.4 g/mol
Monoisotopic mass: 293.04215611

Names & identifiers

Preferred name: (4,6-Dimethyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
IUPAC: (4,6-dimethyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane

Names & synonyms

30863-14-0AC1L1TWUDTXSID60275318S-(4,6-dimethyl-1,3,5-triazin-2-yl) O,O-diethyl phosphorodithioate(4,6-Dimethyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Database identifiers

CAS: 30863-14-0
PubChem CID: 35549
DTXSID: DTXSID60275318
Nikkaji: J1.615.161K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 115 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 263

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