4-ethyl-5-methylthiophene-3-carboxylic acid

4-ethyl-5-methylthiophene-3-carboxylic acid

CAS: 884497-34-1

Formula: C8H10O2S

SMILES: CCC1=C(C)SC=C1C(O)=O

IUPAC: 4-ethyl-5-methylthiophene-3-carboxylic acid

InChI: InChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10)

Composition: C (56.45%), H (5.92%), O (18.80%), S (18.83%)

Molar Mass: 170.23

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.040150736
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PLGXACUSGWZNKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.12
Topological Polar Surface Area	37.3
Polarizability	16.73
Ring Count	1
Rotatable Bond Count	2

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