4-[({[3-(2-methylpropoxy)phenyl]formamido}methanethioyl)amino]benzoic acid

4-[({[3-(2-methylpropoxy)phenyl]formamido}methanethioyl)amino]benzoic acid

Formula: C19H20N2O4S

SMILES: CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=C(C=C1)C(O)=O

IUPAC: 4-[({[3-(2-methylpropoxy)phenyl]formamido}methanethioyl)amino]benzoic acid

InChI: InChI=1S/C19H20N2O4S/c1-12(2)11-25-16-5-3-4-14(10-16)17(22)21-19(26)20-15-8-6-13(7-9-15)18(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)(H2,20,21,22,26)

Composition: C (61.27%), H (5.41%), N (7.52%), O (17.18%), S (8.61%)

Molar Mass: 372.44

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	372.114378306
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	CQXXKDFLWAXKMM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.29
Topological Polar Surface Area	87.66
Polarizability	39.53
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00