Basic information
- CAS
38090-94-7- Standard SMILES
CCOP(=O)(OCC)SCc1nnc(SC)s1- InChIKey
NYZNVKFCMQYCBL-UHFFFAOYSA-N- Molecular formula
- C8H15N2O3PS3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 313.99824286
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
- IUPAC
- 2-(diethoxyphosphorylsulfanylmethyl)-5-methylsulfanyl-1,3,4-thiadiazole
Names & synonyms
BRN 1005691O,O-Diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorothioate38090-94-7Phosphorothioic acid, O,O-diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) esterRefChem:371307o,o-diethyl s-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} phosphorothioateDTXSID50959039
Database identifiers
- CAS
38090-94-7- PubChem CID
- 217080
- DTXSID
DTXSID50959039
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…