2-({[(3,5-dimethoxyphenyl)formamido]methanethioyl}amino)benzoic acid

2-({[(3,5-dimethoxyphenyl)formamido]methanethioyl}amino)benzoic acid

Formula: C17H16N2O5S

SMILES: COC1=CC(=CC(OC)=C1)C(=O)NC(=S)NC1=CC=CC=C1C(O)=O

IUPAC: 2-({[(3,5-dimethoxyphenyl)formamido]methanethioyl}amino)benzoic acid

InChI: InChI=1S/C17H16N2O5S/c1-23-11-7-10(8-12(9-11)24-2)15(20)19-17(25)18-14-6-4-3-5-13(14)16(21)22/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,25)

Composition: C (56.66%), H (4.48%), N (7.77%), O (22.20%), S (8.90%)

Molar Mass: 360.38

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	360.077992797
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	VQFLBIZXFUWKSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.01
Topological Polar Surface Area	96.89
Polarizability	36.56
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00