Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone
Basic information
- CAS
22439-39-0- Standard SMILES
COP(=S)(OC)SCn1nc(Cl)ccc1=O- InChIKey
SEWJSFDJHILELY-UHFFFAOYSA-N- Molecular formula
- C7H10ClN2O3PS2
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 299.9558992
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone
- IUPAC
- 6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Names & synonyms
BRN 066437722439-39-0Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinoneDTXSID801769796-Chloro-2-(mercaptomethyl)-3(2H)-pyridazinone O,O-dimethyl phosphorodithioateRefChem:371156DTXCID7099470s-[(3-chloro-6-oxopyridazin-1(6h)-yl)methyl] o,o-dimethyl phosphorodithioate
Database identifiers
- CAS
22439-39-0- PubChem CID
- 211153
- DTXSID
DTXSID80176979
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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