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7-methylthieno[2,3-b]quinoline-2-carboxylic acid

7-methylthieno[2,3-b]quinoline-2-carboxylic acid

CAS: 333312-06-4

Formula: C13H9NO2S

SMILES: CC1=CC=C2C=C3C=C(SC3=NC2=C1)C(O)=O

IUPAC: 7-methylthieno[2,3-b]quinoline-2-carboxylic acid

InChI: InChI=1S/C13H9NO2S/c1-7-2-3-8-5-9-6-11(13(15)16)17-12(9)14-10(8)4-7/h2-6H,1H3,(H,15,16)

Composition: C (64.18%), H (3.73%), N (5.76%), O (13.15%), S (13.18%)

Molar Mass: 243.28

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 243.035399708
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey STFBAYHWAROTRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.35
Topological Polar Surface Area 50.19
Polarizability 26.56
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 333312-06-4 $404.27$404.27
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