Phosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-2-benzoxazolinone
Basic information
- CAS
30725-71-4- Standard SMILES
CCOP(=S)(OCC)SCn1c(=O)oc2ccccc21- InChIKey
YAAFKGCBOCRHIF-UHFFFAOYSA-N- Molecular formula
- C12H16NO4PS2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.02583734
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-2-benzoxazolinone
- IUPAC
- 3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
- English name
- Dithiophosphoric acid O,O-diethyl S-(2,3-dihydro-2-oxobenzoxazol-3-ylmethyl) ester
- Molecular formula
- C12H16NO4PS2
- Molecular weight
- 333.36
Names & synonyms
Hercules 6286-BBRN 0680594ENT 25,87130725-71-4O,O-Diethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl)phosphorodithioatePhosphorodithioic acid, O,O-diethyl S-((2-oxo-3(2H)-benzoxazolyl)methyl) esterPhosphorodithioic acid, O,O-diethyl ester, S-ester with 3-(mercaptomethyl)-2-benzoxazolinoneRefChem:371099o,o-diethyl s-[(2-oxo-1,3-benzoxazol-3(2h)-yl)methyl] phosphorodithioateSCHEMBL2372907DTXSID40952953Phosphorodithioic acid, O,O-diethyl S-[(2-oxo-3(2H)-benzoxazolyl)methyl] ester
Show more names
Dithiophosphoric acid O,O-diethyl S-(2,3-dihydro-2-oxobenzoxazol-3-ylmethyl) ester
Database identifiers
- CAS
30725-71-4- PubChem CID
- 207757
- DTXSID
DTXSID40952953- Nikkaji
- J34.653E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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