3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide

3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide

Formula: C16H11Cl5N4O3S

SMILES: [O-][N+](=O)C1=CC(=CC=C1)C(=O)NC(NC(=S)NC1=CC(Cl)=CC=C1Cl)C(Cl)(Cl)Cl

IUPAC: 3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide

InChI: InChI=1/C16H11Cl5N4O3S/c17-9-4-5-11(18)12(7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)

Composition: C (37.20%), H (2.15%), Cl (34.31%), N (10.85%), O (9.29%), S (6.21%)

Molar Mass: 516.6

Atom Count: 40

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	513.8994499
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	LUXSWMIASWKIGH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	121.17
Topological Polar Surface Area	96.3
Polarizability	45.41
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11Cl5N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00