ethyl 2-({[(3-chlorophenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-({[(3-chlorophenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula: C19H19ClN2O3S2

SMILES: CCOC(=O)C1=C(NC(=S)NC(=O)C2=CC=CC(Cl)=C2)SC2=C1CCCC2

IUPAC: ethyl 2-({[(3-chlorophenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C19H19ClN2O3S2/c1-2-25-18(24)15-13-8-3-4-9-14(13)27-17(15)22-19(26)21-16(23)11-6-5-7-12(20)10-11/h5-7,10H,2-4,8-9H2,1H3,(H2,21,22,23,26)

Composition: C (53.96%), H (4.53%), Cl (8.38%), N (6.62%), O (11.35%), S (15.16%)

Molar Mass: 422.94

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.0525625
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZMJREHWEFMYZKP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.09
Topological Polar Surface Area	67.43
Polarizability	42.49
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19ClN2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00