Basic information
- CAS
6552-19-8- Standard SMILES
COP(C)(=S)Oc1ccc(S(C)=O)c(C)c1- InChIKey
DHPHGWYFHFFKAH-UHFFFAOYSA-N- Molecular formula
- C10H15O3PS2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.02002368
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, O-methyl O-[3-methyl-4-(methylsulfinyl)phenyl] ester
- IUPAC
- methoxy-methyl-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
- English name
- Methylthiophosphonic acid O-methyl O-[3-methyl-4-(methylsulfinyl)phenyl] ester
- Molecular formula
- C10H15O3PS2
- Molecular weight
- 278.33
Names & synonyms
Bayer 48772BAY 487726552-19-8ENT 27,276AI3-27276Phosphonothioic acid, methyl-, O-methyl O-(4-(methylsulfinyl)-m-tolyl) esterO-Methyl O-(3-methyl-4-(methylsulfinyl)phenyl)methylphosphonothioatePhosphonothioic acid, methyl-, O-methyl O-(3-methyl-4-(methylsulfinyl)phenyl) esterPhosphonothioic acid, methyl-, O-methyl O-[3-methyl-4-(methylsulfinyl)phenyl] esterRefChem:370732DTXSID80984112DHPHGWYFHFFKAH-UHFFFAOYSA-N
Show more names
BAY-48772Phenyl Acetate Impurity 34Methylthiophosphonic acid O-methyl O-[3-methyl-4-(methylsulfinyl)phenyl] esterPhosphonothioic acid, methyl-, O-methyl O-[3-methyl-4-(methylsulfinyl)phenyl] ester (9CI)
O-[4-(Methanesulfinyl)-3-methylphenyl] O-methyl methylphosphonothioate
Database identifiers
- CAS
6552-19-8- PubChem CID
- 81037
- DTXSID
DTXSID80984112- Nikkaji
- J14.601C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 396.5 · 396.5±52.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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