5,7-dimethylthieno[2,3-b]quinoline-2-carboxylic acid

5,7-dimethylthieno[2,3-b]quinoline-2-carboxylic acid

CAS: 333312-10-0

Formula: C14H11NO2S

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

IUPAC: 5,7-dimethylthieno[2,3-b]quinoline-2-carboxylic acid

InChI: InChI=1S/C14H11NO2S/c1-7-3-8(2)10-5-9-6-12(14(16)17)18-13(9)15-11(10)4-7/h3-6H,1-2H3,(H,16,17)

Composition: C (65.35%), H (4.31%), N (5.44%), O (12.44%), S (12.46%)

Molar Mass: 257.31

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	257.051049772
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BAIILRGRTJCAJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.39
Topological Polar Surface Area	50.19
Polarizability	28.32
Ring Count	3
Rotatable Bond Count	1

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