Phosphorodithioic acid, O,O-dibutyl S-(2-(methylamino)-2-oxoethyl) ester
Basic information
- CAS
37744-86-8- Standard SMILES
CCCCOP(=S)(OCCCC)SCC(=O)NC- InChIKey
KSPQJVWSYFTUCP-UHFFFAOYSA-N- Molecular formula
- C11H24NO3PS2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.09352297
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-dibutyl S-(2-(methylamino)-2-oxoethyl) ester
- IUPAC
- 2-dibutoxyphosphinothioylsulfanyl-N-methylacetamide
Names & synonyms
BRN 2277317Phosphorodithioic acid, O,O-dibutyl S-(2-(methylamino)-2-oxoethyl) ester37744-86-8O,O-Di-n-butyl S-(N-methylcarbamoylmethyl) phosphorodithioateRefChem:371088DTXSID90958783[(Dibutoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid2-[(Dibutoxyphosphorothioyl)sulfanyl]-N-methylethanimidic acid
Database identifiers
- CAS
37744-86-8- PubChem CID
- 216832
- DTXSID
DTXSID90958783
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
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Related reactions
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Compound notes
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