Phosphorothioic acid, O,O-diethyl S-((5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl)methyl) ester
Basic information
- CAS
38090-91-4- Standard SMILES
CCOP(=O)(OCC)SCc1nnc(OCCOC)s1- InChIKey
FVFPCDZAXAXLTM-UHFFFAOYSA-N- Molecular formula
- C10H19N2O5PS2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.04730106
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-((5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl)methyl) ester
- IUPAC
- 2-(diethoxyphosphorylsulfanylmethyl)-5-(2-methoxyethoxy)-1,3,4-thiadiazole
Names & synonyms
BRN 1019404O,O-Diethyl S-((5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl)methyl) phosphorothioate38090-91-4Phosphorothioic acid, O,O-diethyl S-((5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl)methyl) esterRefChem:371304o,o-diethyl s-{[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl} phosphorothioateDTXSID30959037
Database identifiers
- CAS
38090-91-4- PubChem CID
- 217077
- DTXSID
DTXSID30959037
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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