Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone
Basic information
- CAS
51376-77-3- Standard SMILES
CCOP(=O)(OCC)SCn1ncccc1=O- InChIKey
QMWADXAINROGIU-UHFFFAOYSA-N- Molecular formula
- C9H15N2O4PS
- Average molar mass
- 278.27 g/mol
- Monoisotopic mass
- 278.04901514
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone
- IUPAC
- 2-(diethoxyphosphorylsulfanylmethyl)pyridazin-3-one
Names & synonyms
BRN 0661515Phosphorothioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone51376-77-3DTXSID20199384O,O-Diethyl phosphorothioate S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinoneRefChem:371263DTXCID50121875O,O-Diethyl S-[(6-oxopyridazin-1(6H)-yl)methyl] phosphorothioate
Database identifiers
- CAS
51376-77-3- PubChem CID
- 3039934
- DTXSID
DTXSID20199384
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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