Benzothiazole, 2,3-dihydro-2-(2-propenyl)-(9CI)
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Basic information
- CAS
154775-95-8- Standard SMILES
C=CCC1Nc2ccccc2S1- InChIKey
COUCHLIZNRTVGR-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
Names & identifiers
- Preferred name
- Benzothiazole, 2,3-dihydro-2-(2-propenyl)-(9CI)
- IUPAC
- 2-prop-2-enyl-2,3-dihydro-1,3-benzothiazole
- English name
- Benzothiazole, 2,3-dihydro-2-(2-propenyl)- (9CI)
- Molecular formula
- C10H11NS
- Molecular weight
- 177.27
Names & synonyms
154775-95-8Benzothiazole, 2,3-dihydro-2-(2-propenyl)- (9CI)2-prop-2-enyl-2,3-dihydro-1,3-benzothiazoleSCHEMBL5311936SCHEMBL28820828DB-285814BENZOTHIAZOLE, 2,3-DIHYDRO-2-(2-PROPENYL)-Benzothiazole, 2,3-dihydro-2-(2-propen-1-yl)-
Database identifiers
- CAS
154775-95-8
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 284.3 · 284.3±20.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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