Research chemical
CAS Number: 39978-04-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
72942475
Exact Mass
352.049333
InChIKey
INZQXLVJYGQYPL-UHFFFAOYSA-N
IUPAC Name
5-methyl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]thiophene-3-carboxylic acid
SMILES String
Cc1cc(C(=O)O)c(Nc2ccnc3c(C(F)(F)F)cccc23)s1
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Catalog navigation
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5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid is identified by CAS 39978-04-6, with molecular formula C16H11F3N2O2S, molecular weight 352.3, InChIKey INZQXLVJYGQYPL-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
White to off-white powder or crystalline solid
Physical State
Solid
Melting Point
180.0 °C
Boiling Point
480.0 °C
Density
1.35 g/cm³
Water Solubility
Slightly soluble
Flash Point
280.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
460.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
24
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
3
Ring count
3
Aromatic rings
3
Topological polar surface area
62.22 Ų
Computed LogP
5.07
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid (CAS 39978-04-6) is a research-use chemical with the molecular formula C16H11F3N2O2S and a molecular weight of 352. 30.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is intended for research and development purposes only.
Documentation needs
Handle 5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS Request