2-methyl-3-{[(thiophen-2-ylformamido)methanethioyl]amino}benzoic acid

2-methyl-3-{[(thiophen-2-ylformamido)methanethioyl]amino}benzoic acid

Formula: C14H12N2O3S2

SMILES: CC1=C(C=CC=C1NC(=S)NC(=O)C1=CC=CS1)C(O)=O

IUPAC: 2-methyl-3-({[(thiophen-2-yl)formamido]methanethioyl}amino)benzoic acid

InChI: InChI=1S/C14H12N2O3S2/c1-8-9(13(18)19)4-2-5-10(8)15-14(20)16-12(17)11-6-3-7-21-11/h2-7H,1H3,(H,18,19)(H2,15,16,17,20)

Composition: C (52.49%), H (3.78%), N (8.74%), O (14.98%), S (20.01%)

Molar Mass: 320.38

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.028934602
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	OOLKETREXAILDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.01
Topological Polar Surface Area	78.43
Polarizability	31.96
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H12N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00