Phosphonodithioic acid, ethyl-, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl O-ethyl ester
Basic information
- CAS
37429-95-1- Standard SMILES
CCOP(=S)(CC)SCn1c(=O)oc2cc(Cl)cnc21- InChIKey
OQMHISPWMYEZBE-UHFFFAOYSA-N- Molecular formula
- C11H14ClN2O3PS2
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 351.9871994
Names & identifiers
- Preferred name
- Phosphonodithioic acid, ethyl-, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl O-ethyl ester
- IUPAC
- 6-chloro-3-[[ethoxy(ethyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Names & synonyms
BRN 108594537429-95-1Phosphonodithioic acid, ethyl-, S-((6-chloro-2-oxooxazolo(4,5-b)pyridin-3(2H)-yl)methyl O-ethyl esterRefChem:370686s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-ethyl ethylphosphonodithioateDTXSID40958516
Database identifiers
- CAS
37429-95-1- PubChem CID
- 216558
- DTXSID
DTXSID40958516
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
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Compound notes
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