Basic information
- CAS
29046-86-4- Standard SMILES
CCOP(=S)(OCC)Oc1cc(C)n(P(=S)(OCC)OCC)n1- InChIKey
IJBLSOTTYOJQIA-UHFFFAOYSA-N- Molecular formula
- C12H24N2O5P2S2
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.06018821
Names & identifiers
- Preferred name
- Phosphonothioic acid, (3-hydroxy-5-methylpyrazol-1-yl)-, O,O-diethyl ester, O-ester with O,O-diethyl phosphorothioate
- IUPAC
- (1-diethoxyphosphinothioyl-5-methylpyrazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
DTXSID10110612129046-86-4Phosphonothioic acid, (3-hydroxy-5-methylpyrazol-1-yl)-, O,O-diethyl ester, O-ester with O,O-diethyl phosphorothioate
Database identifiers
- CAS
29046-86-4- PubChem CID
- 165367178
- DTXSID
DTXSID101106121
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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