Phosphoramidodithioic acid, ethylformyl-, O-ethyl S-(1-methylpropyl) ester
Basic information
- CAS
85519-42-2- Standard SMILES
CCOP(=S)(SC(C)CC)N(C=O)CC- InChIKey
OBZUTJUCLUGNMG-UHFFFAOYSA-N- Molecular formula
- C9H20NO2PS2
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.06730823
Names & identifiers
- Preferred name
- Phosphoramidodithioic acid, ethylformyl-, O-ethyl S-(1-methylpropyl) ester
- IUPAC
- N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-ethylformamide
Names & synonyms
Phosphoramidodithioic acid, ethylformyl-, O-ethyl S-(1-methylpropyl) ester85519-42-2RefChem:1095314RH-50,486O-Ethyl S-(1-methylpropyl) ethylformylphosphoramidodithioateO-Ethyl-S-sec-butyl-N-hydrogencarbonyl-N-ethylphosphoroamidodithioateDTXSID001006081S-Butan-2-yl O-ethyl N-ethyl-N-formylphosphoramidodithioateS-(Butan-2-yl) O-ethyl N-ethyl-N-formylphosphoramidodithioate
Database identifiers
- CAS
85519-42-2- PubChem CID
- 163471
- DTXSID
DTXSID001006081
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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