Phosphorodithioic acid, O-ethyl S-propyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one
Basic information
- CAS
53131-34-3- Standard SMILES
CCCSP(=O)(OCC)SCn1c(=O)oc2cc(Cl)cnc21- InChIKey
LYGFGTDCBIPSJJ-UHFFFAOYSA-N- Molecular formula
- C12H16ClN2O4PS2
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 381.997764
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O-ethyl S-propyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-one
- IUPAC
- 6-chloro-3-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Names & synonyms
BRN 1089521Dithiophosphorsaeure O-aethyl-S-propyl-S-(oxazolo(4,5-b)pyridin-2(3H)-on-3-yl)-methyl-ester53131-34-3S-((6-Chloro-2-oxooxazolo(4,5-b)pyridin-2(3H)-yl)methyl) O-ethyl S-propyl phosphorodithioatePhosphorodithioic acid, O-ethyl S-propyl ester, S-ester with 6-chloro-3-(mercaptomethyl)oxazolo(4,5-b)pyridin-2(3H)-oneRefChem:371184DTXSID10967655S-[(6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O-ethyl S-propyl phosphorodithioate
Database identifiers
- CAS
53131-34-3- PubChem CID
- 3040944
- DTXSID
DTXSID10967655
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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