Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester
Basic information
- CAS
53605-00-8- Standard SMILES
CCOP(=S)(OCC)Oc1cccnn1- InChIKey
SGLMCPUWLVMFNI-UHFFFAOYSA-N- Molecular formula
- C8H13N2O3PS
- Average molar mass
- 248.24 g/mol
- Monoisotopic mass
- 248.03845045
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl ester
- IUPAC
- diethoxy-pyridazin-3-yloxy-sulfanylidene-λ5-phosphane
Names & synonyms
BRN 0792983Phosphorothioic acid, O,O-diethyl O-3-pyridazinyl esterO,O-Diethyl O-(3-pyridazinyl) phosphorothioate53605-00-8DTXSID702018255-23-11-00077 (Beilstein Handbook Reference)RefChem:371300DTXCID00124316O,O-Diethyl O-(pyridazin-3-yl) phosphorothioate
Database identifiers
- CAS
53605-00-8- PubChem CID
- 198294
- DTXSID
DTXSID70201825
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…