4-methylthiophene-2-carboxylic acid

4-methylthiophene-2-carboxylic acid

CAS: 14282-78-1

Formula: C6H6O2S

SMILES: CC1=CSC(=C1)C(O)=O

IUPAC: 4-methylthiophene-2-carboxylic acid

InChI: InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)

Composition: C (50.69%), H (4.25%), O (22.51%), S (22.55%)

Molar Mass: 142.17

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	142.008850607
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YCIVJGQMXZZPAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.25
Topological Polar Surface Area	37.3
Polarizability	13.16
Ring Count	1
Rotatable Bond Count	1

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