Basic information
- CAS
34013-88-2- Standard SMILES
CNC(=O)CSP(=O)(OC(C)C)OC(C)C- InChIKey
BPEGYJWDDYWPBE-UHFFFAOYSA-N- Molecular formula
- C9H20NO4PS
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.08506629
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-bis(1-methylethyl) S-(2-(methylamino)-2-oxoethyl) ester
- IUPAC
- 2-di(propan-2-yloxy)phosphorylsulfanyl-N-methylacetamide
Names & synonyms
BRN 227221034013-88-2Phosphorothioic acid, O,O-bis(1-methylethyl) S-(2-(methylamino)-2-oxoethyl) esterO,O-Di-isopropyl S-(N-methylcarbamoylmethyl) phosphorothiolateRefChem:371243DTXSID00955586({Bis[(propan-2-yl)oxy]phosphoryl}sulfanyl)-N-methylethanimidic acid2-({Bis[(propan-2-yl)oxy]phosphoryl}sulfanyl)-N-methylethanimidic acid
Database identifiers
- CAS
34013-88-2- PubChem CID
- 214731
- DTXSID
DTXSID00955586
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…