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

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

Formula: C17H15Cl4N3OS

SMILES: CC1=CC=CC=C1NC(=S)NC(NC(=O)C1=CC=CC(Cl)=C1)C(Cl)(Cl)Cl

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

InChI: InChI=1/C17H15Cl4N3OS/c1-10-5-2-3-8-13(10)22-16(26)24-15(17(19,20)21)23-14(25)11-6-4-7-12(18)9-11/h2-9,15H,1H3,(H,23,25)(H2,22,24,26)

Composition: C (45.26%), H (3.35%), Cl (31.43%), N (9.31%), O (3.55%), S (7.11%)

Molar Mass: 451.19

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	448.9689941
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	QKVPKPGZTUCFPI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	115.09
Topological Polar Surface Area	53.16
Polarizability	43.2
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15Cl4N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00