Basic information
- CAS
37565-83-6- Standard SMILES
CCOC(=O)C(SP(=O)(OC)SC)c1ccccc1- InChIKey
OBXULSHFYPVXMT-UHFFFAOYSA-N- Molecular formula
- C12H17O4PS2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.03058836
Names & identifiers
- Preferred name
- Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,S-dimethyl phosphorodithioate
- IUPAC
- ethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-2-phenylacetate
Names & synonyms
BRN 2756511Benzeneacetic acid, alpha-((methoxy(methylthio)phosphinyl)thio)-, ethyl ester37565-83-6Acetic acid, mercaptophenyl-, ethyl ester, S-ester with O,S-dimethyl phosphorodithioateRefChem:316650Benzeneacetic acid, alpha-((methoxy(methylthio)phosphinyl)thio)-, ethyl ester (9CI)SCHEMBL3111939DTXSID00958633ethyl {[methoxy(methylsulfanyl)phosphoryl]sulfanyl}(phenyl)acetate
Database identifiers
- CAS
37565-83-6- PubChem CID
- 37784
- DTXSID
DTXSID00958633
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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