3-(4-butoxybenzoyl)-1-(5-chloropyridin-2-yl)thiourea

3-(4-butoxybenzoyl)-1-(5-chloropyridin-2-yl)thiourea

Formula: C17H18ClN3O2S

SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C(Cl)C=N1

IUPAC: 3-(4-butoxybenzoyl)-1-(5-chloropyridin-2-yl)thiourea

InChI: InChI=1S/C17H18ClN3O2S/c1-2-3-10-23-14-7-4-12(5-8-14)16(22)21-17(24)20-15-9-6-13(18)11-19-15/h4-9,11H,2-3,10H2,1H3,(H2,19,20,21,22,24)

Composition: C (56.12%), H (4.99%), Cl (9.74%), N (11.55%), O (8.79%), S (8.81%)

Molar Mass: 363.86

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	363.0808257
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XBIWRVUHJYQTPJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.12
Topological Polar Surface Area	63.25
Polarizability	38.19
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00