3-(5-methylthiophen-2-yl)prop-2-enoic acid

3-(5-methylthiophen-2-yl)prop-2-enoic acid

CAS: 14770-88-8

Formula: C8H8O2S

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

IUPAC: 3-(5-methylthiophen-2-yl)prop-2-enoic acid

InChI: InChI=1S/C8H8O2S/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H,9,10)

Composition: C (57.12%), H (4.79%), O (19.02%), S (19.06%)

Molar Mass: 168.21

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.024500672
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MHOAQQYXASUJOT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.01
Topological Polar Surface Area	37.3
Polarizability	16.57
Ring Count	1
Rotatable Bond Count	2

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95%	<7 Days	14770-88-8		$77.22-$871.20$77.22$125.73$201.96$403.92$605.88$871.20

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