4,5-dimethyl-2-(2-methylpropanamido)thiophene-3-carboxylic acid

4,5-dimethyl-2-(2-methylpropanamido)thiophene-3-carboxylic acid

CAS: 312940-41-3

Formula: C11H15NO3S

SMILES: CC(C)C(=O)NC1=C(C(O)=O)C(C)=C(C)S1

IUPAC: 4,5-dimethyl-2-(2-methylpropanamido)thiophene-3-carboxylic acid

InChI: InChI=1S/C11H15NO3S/c1-5(2)9(13)12-10-8(11(14)15)6(3)7(4)16-10/h5H,1-4H3,(H,12,13)(H,14,15)

Composition: C (54.75%), H (6.27%), N (5.80%), O (19.89%), S (13.29%)

Molar Mass: 241.31

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.077264521
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZERSOEDAIIYKFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.74
Topological Polar Surface Area	66.4
Polarizability	23.5
Ring Count	1
Rotatable Bond Count	3

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95%	<4 Days	312940-41-3		$80.50-$1,973.40$80.50$124.20$354.20$1,973.40