1-(2,4-dichlorobenzoyl)-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

1-(2,4-dichlorobenzoyl)-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C19H16Cl2F3N3OS

SMILES: FC(F)(F)C1=CC=C(N2CCCC2)C(NC(=S)NC(=O)C2=CC=C(Cl)C=C2Cl)=C1

IUPAC: 1-(2,4-dichlorobenzoyl)-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C19H16Cl2F3N3OS/c20-12-4-5-13(14(21)10-12)17(28)26-18(29)25-15-9-11(19(22,23)24)3-6-16(15)27-7-1-2-8-27/h3-6,9-10H,1-2,7-8H2,(H2,25,26,28,29)

Composition: C (49.36%), H (3.49%), Cl (15.34%), F (12.33%), N (9.09%), O (3.46%), S (6.93%)

Molar Mass: 462.31

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	461.0343232
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OSFXMTIDEGMFPE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	115.38
Topological Polar Surface Area	44.37
Polarizability	41.84
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16Cl2F3N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00