Basic information
- Standard SMILES
CCOP(=S)(OCC)Oc1nc2c(s1)C(=O)CCC2- InChIKey
JTJYDRSWRCISAX-UHFFFAOYSA-N- Molecular formula
- C11H16NO4PS2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.02583734
Names & identifiers
- Preferred name
- 2-(Diethoxythiophosphoryloxy)-4,5,6,7-tetrahydro-7-oxo-benzothiazole
- IUPAC
- 2-diethoxyphosphinothioyloxy-5,6-dihydro-4H-1,3-benzothiazol-7-one
Names & synonyms
SCHEMBL11782208JTJYDRSWRCISAX-UHFFFAOYSA-N2-(diethoxythiophosphoryloxy)-4,5,6,7-tetrahydro-7-oxo-benzothiazole
Database identifiers
- PubChem CID
- 53973692
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Related reactions
1 records
Compound notes
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