Basic information
- CAS
2951-17-9- Standard SMILES
COP(=S)(OC)Oc1ccc(SC)c(Cl)c1- InChIKey
UURQFDKUFRQVHT-UHFFFAOYSA-N- Molecular formula
- C9H12ClO3PS2
- Average molar mass
- 298.7 g/mol
- Monoisotopic mass
- 297.9654013
Names & identifiers
- Preferred name
- Ent 25676
- IUPAC
- (3-chloro-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Bayer 29491ENT 25,676BRN 2125679ENT 25676O-(3-Chloro-4-(methylthio)phenyl) O,O-dimethyl phosphorothioate2951-17-9Phosphorothioic acid, O-(3-chloro-4-(methylthio)phenyl) O,O-dimethyl esterRefChem:339596o-[3-chloro-4-(methylsulfanyl)phenyl] o,o-dimethyl phosphorothioateDTXSID20952012
Database identifiers
- CAS
2951-17-9- PubChem CID
- 76286
- DTXSID
DTXSID20952012- Nikkaji
- J34.681K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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