Basic information
- CAS
33289-49-5- Standard SMILES
O=C(O)c1cc(-c2cccs2)nc2ccc(Br)cc12- InChIKey
KYHKYEUYJZTRCP-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO2S
- Average molar mass
- 334.19 g/mol
- Monoisotopic mass
- 332.94591
Names & identifiers
- Preferred name
- 6-Bromo-2-thien-2-ylquinoline-4-carboxylic acid
- IUPAC
- 6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
- English name
- 6-BROMO-2-THIOPHEN-2-YL-QUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C14H8BrNO2S
- Molecular weight
- 334.19
Names & synonyms
33289-49-56-bromo-2-thien-2-ylquinoline-4-carboxylic acidDTXSID90353850RefChem:307462DTXCID403049136-bromo-2-(thiophen-2-yl)quinoline-4-carboxylic acid6-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid6-Bromo-2-thiophen-2-yl-quinoline-4-carboxylic acid6-Bromo-2-thiophen-2-yl-quinoline-4-carboxylicacidMLS0011820776-bromo-2-(2-thienyl)quinoline-4-carboxylic acidSMR000567820
Show more names
AKOS BB-92854-Quinolinecarboxylic acid, 6-bromo-2-(2-thienyl)-
6-bromo-2-(2-thienyl)-4-quinolinecarboxylic acidTimTec1_0067436-bromo-2-thiophen-2-yl-4-quinolinecarboxylic acidCHEMBL450135cid_755656BDBM66192HMS1553C11ALBB-035142
Database identifiers
- CAS
33289-49-5- PubChem CID
- 755656
- DTXSID
DTXSID90353850- ChEMBL
CHEMBL450135- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
Solubility>50.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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