AI 3-10616
Basic information
- CAS
4524-70-3- Standard SMILES
CCOP(=O)(OCC)Sc1ccc(Cl)cc1- InChIKey
DZMBHXLSOJHVRT-UHFFFAOYSA-N- Molecular formula
- C10H14ClO3PS
- Average molar mass
- 280.71 g/mol
- Monoisotopic mass
- 280.0089802
Names & identifiers
- Preferred name
- AI 3-10616
- IUPAC
- 1-chloro-4-diethoxyphosphorylsulfanylbenzene
Names & synonyms
AI 3-10616Phosphorothioic acid, S-(4-chlorophenyl) O,O-diethyl esterAI3-10616DTXSID90196446RefChem:317827DTXCID001189374524-70-3S-(4-chlorophenyl) O,O-diethyl phosphorothioate1-chloro-4-diethoxyphosphorylsulfanylbenzenestarbld0006877orb1698647SCHEMBL28394303
Show more names
AKOS040750230T29757
Database identifiers
- CAS
4524-70-3- PubChem CID
- 6452024
- DTXSID
DTXSID90196446- Nikkaji
- J511.693G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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