Basic information
- CAS
492442-28-1- Standard SMILES
Cc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)O)c2c1- InChIKey
TTZPXRKMYUVDOO-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2S
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.0120774
Names & identifiers
- Preferred name
- 2-(5-Chlorothiophen-2-yl)-6-methylquinoline-4-carboxylic acid
- IUPAC
- 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylic acid
- English name
- 2-(5-CHLOROTHIEN-2-YL)-6-METHYLQUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C15H10ClNO2S
- Molecular weight
- 303.76
Names & synonyms
492442-28-12-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylic acid2-(5-chlorothien-2-yl)-6-methylquinoline-4-carboxylic acidMFCD03074304Oprea1_142326ALBB-000467BBL016689STK430576AKOS003306858SB72688NCGC00305701-01VS-05477
Show more names
IVK/10113512-(5-chloro-2-thienyl)-6-methyl-cinchoninic acid4-Quinolinecarboxylic acid, 2-(5-chloro-2-thienyl)-6-methyl-2-(5-chlorothiophen-2-yl)-6-methyl-quinoline-4-carboxylic acid
CS-0315915ST50830447H20862AB01302025-01AK-968/411700112-(5-chloro(2-thienyl))-6-methylquinoline-4-carboxylic acid2-(5-chloro-2-thienyl)-6-methyl-4-quinolinecarboxylic acid2-(5-chloro-2-thienyl)-6-methyl-quinoline-4-carboxylic acid
Database identifiers
- CAS
492442-28-1- PubChem CID
- 4439738
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 486.7 · 486.7±45.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.30(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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