Basic information
- CAS
189330-08-3- Standard SMILES
Cc1cc(C(N)=O)sc1Br- InChIKey
HUXQMSWPHULFRN-UHFFFAOYSA-N- Molecular formula
- C6H6BrNOS
- Average molar mass
- 220.09 g/mol
- Monoisotopic mass
- 218.93534691
Names & identifiers
- Preferred name
- 5-Bromo-4-methylthiophene-2-carboxamide
- IUPAC
- 5-bromo-4-methylthiophene-2-carboxamide
- English name
- 5-broMo-4-Methylthiophene-2-carboxaMide
- Molecular formula
- C6H6BrNOS
- Molecular weight
- 220.09
Names & synonyms
5-bromo-4-methylthiophene-2-carboxamide189330-08-32-Thiophenecarboxamide, 5-bromo-4-methyl-SCHEMBL1630492DTXSID20621453HUXQMSWPHULFRN-UHFFFAOYSA-NAKOS0185136515-bromo-4-methyl-2-thiophenecarboxamide5-bromo-4-methyl-2-thiophene carboxamideDB-317495A1-35371
Database identifiers
- CAS
189330-08-3- PubChem CID
- 22009668
- DTXSID
DTXSID20621453
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 269.4 · 269.4±40.0 °C(Predicted)
- Density
- 1.692 · 1.692±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.66 · 15.66±0.50(Predicted)
Chemistry & industry
Suppliers4 total
郑州药领医药科技有限公司13526569071 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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