Phosphonodithioic acid, ethyl-, O-methyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one
Basic information
- CAS
35575-92-9- Standard SMILES
CCP(=S)(OC)SCn1c(=O)oc2cc(Cl)cnc21- InChIKey
XCEMBDHDDAJIBJ-UHFFFAOYSA-N- Molecular formula
- C10H12ClN2O3PS2
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 337.9715493
Names & identifiers
- Preferred name
- Phosphonodithioic acid, ethyl-, O-methyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one
- IUPAC
- 6-chloro-3-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Names & synonyms
BRN 101619035575-92-9Phosphonodithioic acid, ethyl-, O-methyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-oneRefChem:370680s-[(6-chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2h)-yl)methyl] o-methyl ethylphosphonodithioateDTXSID70956964
Database identifiers
- CAS
35575-92-9- PubChem CID
- 215352
- DTXSID
DTXSID70956964
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…