Basic information
- CAS
70590-54-4- Standard SMILES
O=C1CCc2scnc2C1- InChIKey
MAOOKCQQMBUGTO-UHFFFAOYSA-N- Molecular formula
- C7H7NOS
- Average molar mass
- 153.2 g/mol
Names & identifiers
- Preferred name
- 6,7-Dihydrobenzo[d]thiazol-5(4H)-one
- IUPAC
- 6,7-dihydro-4H-1,3-benzothiazol-5-one
- English name
- 5(4H)-Benzothiazolone, 6,7-dihydro-
- Molecular formula
- C7H7NOS
- Molecular weight
- 153.2
Names & synonyms
70590-54-45(4H)-Benzothiazolone, 6,7-dihydro-MFCD188211966,7-Dihydrobenzo[d]thiazol-5(4H)-oneSY532812DB-272946
Database identifiers
- CAS
70590-54-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 317.3 · 317.3±42.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 1.68 · 1.68±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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