Basic information
- CAS
3254-62-4- Standard SMILES
CCCOP(=S)(OCCC)Oc1ccc(S(C)=O)cc1- InChIKey
LMXCIGBULAWAIL-UHFFFAOYSA-N- Molecular formula
- C13H21O4PS2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.06188849
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl ester
- IUPAC
- (4-methylsulfinylphenoxy)-dipropoxy-sulfanylidene-λ5-phosphane
- English name
- O-[4-(Methylsulfinyl)phenyl]O,O-dipropyl=phosphorothioate
- Molecular weight
- 0
Names & synonyms
Bayer 297093254-62-4ENT 25,508S-1809Phosphorothioic acid, O-(p-(methylsulfinyl)phenyl) O,O-dipropyl esterO-(p-Methylsulfinylphenyl)O,O-dipropyl phosphorothiatePhenol, p-(methylsulfinyl)-, O-ester with O,O-dipropyl phosphorothioateRefChem:371427DTXSID90954280O-[4-(Methylsulfinyl)phenyl]O,O-dipropyl=phosphorothioateO-[4-(Methanesulfinyl)phenyl] O,O-dipropyl phosphorothioateENT-25508
Show more names
Bayer-29709Phenyl Acetate Impurity 33
Database identifiers
- CAS
3254-62-4- PubChem CID
- 76741
- DTXSID
DTXSID90954280- Nikkaji
- J53.841H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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