Phosphorothioic acid, O,O-dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
Basic information
- CAS
38090-97-0- Standard SMILES
CCSc1nnc(CSP(=O)(OC)OC)s1- InChIKey
YSXBGJGHFNRKPK-UHFFFAOYSA-N- Molecular formula
- C7H13N2O3PS3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 299.9825928
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
- IUPAC
- 2-(dimethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazole
- English name
- 2-(dimethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazol e
- Molecular formula
- C7H13N2O3PS3
- Molecular weight
- 0
Names & synonyms
BRN 1000226Phosphorothioic acid, O,O-dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) ester38090-97-0DTXSID50191497O,O-Dimethyl S-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorothioateRefChem:371375DTXCID60113988s-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} o,o-dimethyl phosphorothioate2-(dimethoxyphosphorylsulfanylmethyl)-5-ethylsulfanyl-1,3,4-thiadiazol e
Database identifiers
- CAS
38090-97-0- PubChem CID
- 217083
- DTXSID
DTXSID50191497
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…