3-nitro-N-(2,2,2-trichloro-1-{[(4-methylphenyl)carbamothioyl]amino}ethyl)benzamide

3-nitro-N-(2,2,2-trichloro-1-{[(4-methylphenyl)carbamothioyl]amino}ethyl)benzamide

Formula: C17H15Cl3N4O3S

SMILES: CC1=CC=C(NC(=S)NC(NC(=O)C2=CC=CC(=C2)[N+]([O-])=O)C(Cl)(Cl)Cl)C=C1

IUPAC: 3-nitro-N-(2,2,2-trichloro-1-{[(4-methylphenyl)carbamothioyl]amino}ethyl)benzamide

InChI: InChI=1/C17H15Cl3N4O3S/c1-10-5-7-12(8-6-10)21-16(28)23-15(17(18,19)20)22-14(25)11-3-2-4-13(9-11)24(26)27/h2-9,15H,1H3,(H,22,25)(H2,21,23,28)

Composition: C (44.22%), H (3.27%), Cl (23.03%), N (12.13%), O (10.39%), S (6.94%)

Molar Mass: 461.74

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	459.9930446
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	UJYLUUVKNMLDJA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.6
Topological Polar Surface Area	96.3
Polarizability	43.25
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15Cl3N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00