1,3-dimethyl 5-{[(phenylformamido)methanethioyl]amino}benzene-1,3-dicarboxylate

1,3-dimethyl 5-{[(phenylformamido)methanethioyl]amino}benzene-1,3-dicarboxylate

Formula: C18H16N2O5S

SMILES: COC(=O)C1=CC(=CC(NC(=S)NC(=O)C2=CC=CC=C2)=C1)C(=O)OC

IUPAC: 1,3-dimethyl 5-{[(phenylformamido)methanethioyl]amino}benzene-1,3-dicarboxylate

InChI: InChI=1S/C18H16N2O5S/c1-24-16(22)12-8-13(17(23)25-2)10-14(9-12)19-18(26)20-15(21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,19,20,21,26)

Composition: C (58.06%), H (4.33%), N (7.52%), O (21.48%), S (8.61%)

Molar Mass: 372.4

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	372.077992797
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DRBABNAESQBIJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.88
Topological Polar Surface Area	93.73
Polarizability	38.03
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00