4-methyl-5-phenylthiophene-2-carboxylic acid

4-methyl-5-phenylthiophene-2-carboxylic acid

CAS: 40133-12-8

Formula: C12H10O2S

SMILES: CC1=C(SC(=C1)C(O)=O)C1=CC=CC=C1

IUPAC: 4-methyl-5-phenylthiophene-2-carboxylic acid

InChI: InChI=1S/C12H10O2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)

Composition: C (66.03%), H (4.62%), O (14.66%), S (14.69%)

Molar Mass: 218.27

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.040150736
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HBQAYKRLPQFBBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.17
Topological Polar Surface Area	37.3
Polarizability	24.03
Ring Count	2
Rotatable Bond Count	2

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