Basic information
- CAS
5826-85-7- Standard SMILES
COP(=S)(OC)Oc1ccc2c(C)cc(=O)oc2c1- InChIKey
XOYJOEBNPYQZSW-UHFFFAOYSA-N- Molecular formula
- C12H13O5PS
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.02213168
Names & identifiers
- Preferred name
- Methyl Potasan
- IUPAC
- 7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one
- English name
- Thiophosphoric acid O,O-dimethyl O-(4-methyl-7-coumarinyl) ester
- Molecular formula
- C12H13O5PS
- Molecular weight
- 300.27
Names & synonyms
Methyl Potasan5826-85-7RefChem:1089632BRN 0280017Umbelliferone, 4-methyl-, O,O-dimethyl phosphorothioateO,O-Dimethyl-O-(4-methyl-7-kumarinyl) ester kyseliny thiofosforecne [Czech]Phosphorothioic acid, O,O-dimethyl ester, O-ester with 7-hydroxy-4-methylcoumarin4-18-00-00342 (Beilstein Handbook Reference)DTXSID40973820Thiophosphoric acid O,O-dimethyl O-(4-methyl-7-coumarinyl) esterO,O-Dimethyl-O-(4-methyl-7-kumarinyl) ester kyseliny thiofosforecnePhosphorothioic acid, O,O-dimethyl O-(4-methyl-7-cumarinyl) ester
Show more names
Thiophosphoric acid O,O-dimethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) esterPhosphorothioic acid, O,O-dimethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
O,O-Dimethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate
Database identifiers
- CAS
5826-85-7- PubChem CID
- 79901
- DTXSID
DTXSID40973820- Nikkaji
- J13.683B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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