Basic information
- CAS
37934-12-6- Standard SMILES
CCOP(=O)(OCC)SCc1nnc(C)o1- InChIKey
PFCFCHIEKAKJMO-UHFFFAOYSA-N- Molecular formula
- C8H15N2O4PS
- Average molar mass
- 266.26 g/mol
- Monoisotopic mass
- 266.04901514
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-((5-methyl-1,3,4-oxadiazol-2-yl)methyl) ester
- IUPAC
- 2-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
- English name
- 2-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
- Molecular formula
- C8H15N2O4PS
- Molecular weight
- 266.25
Names & synonyms
BRN 099568337934-12-6Phosphorothioic acid, O,O-diethyl S-((5-methyl-1,3,4-oxadiazol-2-yl)methyl) esterDTXSID60191362O,O-Diethyl S-((5-methyl-1,3,4-oxadiazol-2-yl)methyl) phosphorothioateo,o-diethyl s-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] phosphorothioateRefChem:371311DTXCID701138532-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazolePhosphorothioic acid, O,O-diethyl S-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] ester
Database identifiers
- CAS
37934-12-6- PubChem CID
- 216960
- DTXSID
DTXSID60191362
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 352.6 · 352.6±52.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- -4.2 · -4.20±0.32(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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