AI 3-25614
Basic information
- CAS
3186-12-7- Standard SMILES
CCOP(C)(=S)Oc1ccc(SCC)cc1- InChIKey
SGFCKMQVHZWKIM-UHFFFAOYSA-N- Molecular formula
- C11H17O2PS2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.04075913
Names & identifiers
- Preferred name
- AI 3-25614
- IUPAC
- ethoxy-(4-ethylsulfanylphenoxy)-methyl-sulfanylidene-λ5-phosphane
Names & synonyms
Bayer 304683186-12-7AI 3-25614BAY 30468Phosphonothioic acid, methyl-, O-ethyl O-(p-(ethylthio)phenyl) esterENT 25,614BRN 2216879Phosphonothioic acid, methyl-, O-ethyl O-(4-(ethylthio)phenyl) esterAI3-25614RefChem:317833ethoxy-(4-ethylsulfanylphenoxy)-methyl-sulfanylidene-lambda5-phosphaneDTXSID70953771
Show more names
AKOS040745535HY-118322O-ethyl O-[4-(ethylsulfanyl)phenyl] methylphosphonothioateethoxy-(4-ethylsulfanylphenoxy)-methyl-sulfanylidene-|E5-phosphane
Database identifiers
- CAS
3186-12-7- PubChem CID
- 201069
- DTXSID
DTXSID70953771
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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