Basic information
- CAS
33575-75-6- Standard SMILES
CCOP(=S)(OCC)SCc1nnc(C(C)C)o1- InChIKey
OLCFBQMTJJRJHA-UHFFFAOYSA-N- Molecular formula
- C10H19N2O3PS2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.05747182
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-((5-(1-methylethyl)-1,3,4-oxadiazol-2-yl)methyl) ester
- IUPAC
- diethoxy-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 1081972Phosphorodithioic acid, O,O-diethyl S-((5-(1-methylethyl)-1,3,4-oxadiazol-2-yl)methyl) ester33575-75-6DTXSID90187273O,O-Diethyl S-((5-(1-methylethyl)-1,3,4-oxadiazol-2-yl)methyl) phosphorodithioateRefChem:371111DTXCID00109764o,o-diethyl s-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]methyl} phosphorodithioate
Database identifiers
- CAS
33575-75-6- PubChem CID
- 214656
- DTXSID
DTXSID90187273
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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