2-(2,2-dimethylpropanamido)-5-methylthiophene-3-carboxylic acid

2-(2,2-dimethylpropanamido)-5-methylthiophene-3-carboxylic acid

CAS: 634593-20-7

Formula: C11H15NO3S

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

IUPAC: 2-(2,2-dimethylpropanamido)-5-methylthiophene-3-carboxylic acid

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

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	QGGGLFAQLJKYKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.2
Topological Polar Surface Area	66.4
Polarizability	23.58
Ring Count	1
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	634593-20-7		$343.05$343.05$343.05

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	634593-20-7		$105.80-$500.25$105.80$177.10$500.25

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<16 Days	634593-20-7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00