ethyl 2-{[(thiophen-2-ylformamido)methanethioyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

ethyl 2-{[(thiophen-2-ylformamido)methanethioyl]amino}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

Formula: C18H20N2O3S3

SMILES: CCOC(=O)C1=C(NC(=S)NC(=O)C2=CC=CS2)SC2=C1CCCCC2

IUPAC: ethyl 2-({[(thiophen-2-yl)formamido]methanethioyl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

InChI: InChI=1S/C18H20N2O3S3/c1-2-23-17(22)14-11-7-4-3-5-8-12(11)26-16(14)20-18(24)19-15(21)13-9-6-10-25-13/h6,9-10H,2-5,7-8H2,1H3,(H2,19,20,21,24)

Composition: C (52.92%), H (4.93%), N (6.86%), O (11.75%), S (23.54%)

Molar Mass: 408.55

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	408.063606034
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MVHFFGBKJLCMGV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.78
Topological Polar Surface Area	67.43
Polarizability	41.14
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20N2O3S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00