3-amino-5-methylthiophene-2-carboxylic acid

3-amino-5-methylthiophene-2-carboxylic acid

CAS: 76575-71-8

Formula: C6H7NO2S

SMILES: CC1=CC(N)=C(S1)C(O)=O

IUPAC: 3-amino-5-methylthiophene-2-carboxylic acid

InChI: InChI=1S/C6H7NO2S/c1-3-2-4(7)5(10-3)6(8)9/h2H,7H2,1H3,(H,8,9)

Composition: C (45.85%), H (4.49%), N (8.91%), O (20.36%), S (20.40%)

Molar Mass: 157.19

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.019749643
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BLEZJNAXCPGYTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.96
Topological Polar Surface Area	63.32
Polarizability	14.31
Ring Count	1
Rotatable Bond Count	1

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