Basic information
- CAS
2210-52-8- Standard SMILES
CCOP(=S)(OCC)Oc1cc(Cl)c([N+](=O)[O-])cc1CN(CC)CC- InChIKey
DOPAZEJMAHSAEU-UHFFFAOYSA-N- Molecular formula
- C15H24ClN2O5PS
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.0832077
Names & identifiers
- Preferred name
- Bay 51105
- IUPAC
- N-[(4-chloro-2-diethoxyphosphinothioyloxy-5-nitrophenyl)methyl]-N-ethylethanamine
Names & synonyms
BAY 51105Bayer 511052210-52-8DTXSID80176611Phosphorothioic acid, O-(5-chloro-alpha-(diethylamino)-4-nitro-o-tolyl) O,O-diethyl esterRefChem:320983DTXCID0099102O-[5-Chloro-alpha-(diethylamino)-4-nitro-o-tolyl]O,O-diethyl ester phosphorothioic acidO-{5-Chloro-2-[(diethylamino)methyl]-4-nitrophenyl} O,O-diethyl phosphorothioate
Database identifiers
- CAS
2210-52-8- PubChem CID
- 200523
- DTXSID
DTXSID80176611
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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