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

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

Formula: C23H28N2O3S2

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

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

InChI: InChI=1S/C23H28N2O3S2/c1-5-28-21(27)18-16-8-6-7-9-17(16)30-20(18)25-22(29)24-19(26)14-10-12-15(13-11-14)23(2,3)4/h10-13H,5-9H2,1-4H3,(H2,24,25,26,29)

Composition: C (62.13%), H (6.35%), N (6.30%), O (10.80%), S (14.42%)

Molar Mass: 444.61

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	444.154135118
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UPTFSSJRMKXPAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.95
Topological Polar Surface Area	67.43
Polarizability	47.87
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H28N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00