Basic information
- CAS
37840-61-2- Standard SMILES
COc1c(OP(=S)(NC(C)C)OC)cnn(C)c1=O- InChIKey
FNALQVSBTYSAFT-UHFFFAOYSA-N- Molecular formula
- C10H18N3O4PS
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.07556424
Names & identifiers
- Preferred name
- O-(5-Methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) O-methyl N-propan-2-ylphosphoramidothioate
- IUPAC
- 4-methoxy-5-[methoxy-(propan-2-ylamino)phosphinothioyl]oxy-2-methylpyridazin-3-one
Names & synonyms
37840-61-2DTXSID60958871O-(5-Methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) O-methyl N-propan-2-ylphosphoramidothioateRefChem:1093574DTXCID701386763BRN 0829939Phosphoramidothioic acid, (1-methylethyl)-, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O-methyl esterO-(5-Methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl) O-methyl N-(propan-2-yl)phosphoramidothioate
Database identifiers
- CAS
37840-61-2- PubChem CID
- 216879
- DTXSID
DTXSID60958871
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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