Basic information
- CAS
3078-94-2- Standard SMILES
COP(=S)(OC)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1- InChIKey
AGSPBJWUHVHTHG-UHFFFAOYSA-N- Molecular formula
- C12H18NO6PS2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.03131664
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl O-(morpholinosulfonylphenyl) ester
- IUPAC
- dimethoxy-(4-morpholin-4-ylsulfonylphenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorothioic acid, O,O-dimethyl O-(morpholinosulfonylphenyl) esterBRN 10909613078-94-2DTXSID70184801Morpholine, 4-(p-hydroxybenzenesulfonyl)-, ester with dimethylphosphorothioateRefChem:371365DTXCID70107292O,O-Dimethyl O-[4-(morpholine-4-sulfonyl)phenyl] phosphorothioate
Database identifiers
- CAS
3078-94-2- PubChem CID
- 200998
- DTXSID
DTXSID70184801- Nikkaji
- J50.475K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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