3-(4-chlorobenzoyl)-1-[5-(trifluoromethyl)pyridin-2-yl]thiourea

3-(4-chlorobenzoyl)-1-[5-(trifluoromethyl)pyridin-2-yl]thiourea

CAS: 1353878-23-5

Formula: C14H9ClF3N3OS

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

IUPAC: 3-(4-chlorobenzoyl)-1-[5-(trifluoromethyl)pyridin-2-yl]thiourea

InChI: InChI=1S/C14H9ClF3N3OS/c15-10-4-1-8(2-5-10)12(22)21-13(23)20-11-6-3-9(7-19-11)14(16,17)18/h1-7H,(H2,19,20,21,22,23)

Composition: C (46.74%), H (2.52%), Cl (9.85%), F (15.84%), N (11.68%), O (4.45%), S (8.91%)

Molar Mass: 359.75

Atom Count: 32

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	359.0106953
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PUCLMEDXRLOLNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.76
Topological Polar Surface Area	54.02
Polarizability	31.31
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1353878-23-5		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06