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3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

CAS: 59488-60-7

Formula: C9H8N2O2S

SMILES: CC1=CC=C2C(N)=C(SC2=N1)C(O)=O

IUPAC: 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

InChI: InChI=1S/C9H8N2O2S/c1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h2-3H,10H2,1H3,(H,12,13)

Composition: C (51.91%), H (3.87%), N (13.45%), O (15.37%), S (15.40%)

Molar Mass: 208.24

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 208.03064868
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZSZQAJUEIMYKCN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.53
Topological Polar Surface Area 76.21
Polarizability 20.22
Ring Count 2
Rotatable Bond Count 1

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