Phosphorodithioic acid, S-(2-(bis(1-methylethyl)amino)-2-oxoethyl) O,O-diethyl ester
Basic information
- CAS
37744-83-5- Standard SMILES
CCOP(=S)(OCC)SCC(=O)N(C(C)C)C(C)C- InChIKey
IULJDTZHQAGEQH-UHFFFAOYSA-N- Molecular formula
- C12H26NO3PS2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.10917304
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-(2-(bis(1-methylethyl)amino)-2-oxoethyl) O,O-diethyl ester
- IUPAC
- 2-diethoxyphosphinothioylsulfanyl-N,N-di(propan-2-yl)acetamide
- English name
- 2-diethoxyphosphinothioylsulfanyl-N,N-dipropan-2-yl-acetamide
- Molecular formula
- C12H26NO3PS2
- Molecular weight
- 327.44
Names & synonyms
BRN 228214337744-83-5O,O-Diethyl S-(N,N-di-isopropylcarbamoylmethyl) phosphorodithioatePhosphorodithioic acid, S-(2-(bis(1-methylethyl)amino)-2-oxoethyl) O,O-diethyl esterRefChem:371202DTXSID30958782S-{2-[Di(propan-2-yl)amino]-2-oxoethyl} O,O-diethyl phosphorodithioate2-diethoxyphosphinothioylsulfanyl-N,N-dipropan-2-yl-acetamidePhosphorodithioic acid, S-[2-[bis(1-methylethyl)amino]-2-oxoethyl] O,O-diethyl ester
Database identifiers
- CAS
37744-83-5- PubChem CID
- 216829
- DTXSID
DTXSID30958782
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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