(7-Methoxybenzo[c][1,2,5]thiadiazol-4-yl)methanamine
Basic information
- CAS
743379-78-4- Standard SMILES
COc1ccc(CN)c2nsnc12- InChIKey
WHEGWWDSZWEBQU-UHFFFAOYSA-N- Molecular formula
- C8H9N3OS
- Average molar mass
- 195.24 g/mol
Names & identifiers
- Preferred name
- (7-Methoxybenzo[c][1,2,5]thiadiazol-4-yl)methanamine
- IUPAC
- (4-methoxy-2,1,3-benzothiadiazol-7-yl)methanamine
- English name
- 2,1,3-Benzothiadiazole-4-methanamine,7-methoxy-(9CI)
- Molecular formula
- C8H9N3OS
- Molecular weight
- 195.24
Names & synonyms
743379-78-4(7-Methoxybenzo[c][1,2,5]thiadiazol-4-yl)methanamineDB-2692362,1,3-BENZOTHIADIAZOLE-4-METHANAMINE, 7-METHOXY-(4-methoxy-2,1,3-benzothiadiazol-7-yl)methanamine2,1,3-Benzothiadiazole-4-methanamine,7-methoxy-(9CI)
Database identifiers
- CAS
743379-78-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 335.5 · 335.5±27.0 °C(Predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- 8.21 · 8.21±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…