1-(4-butoxybenzoyl)-3-(4-phenyl-1,3-thiazol-2-yl)thiourea

1-(4-butoxybenzoyl)-3-(4-phenyl-1,3-thiazol-2-yl)thiourea

Formula: C21H21N3O2S2

SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC1=NC(=CS1)C1=CC=CC=C1

IUPAC: 1-(4-butoxybenzoyl)-3-(4-phenyl-1,3-thiazol-2-yl)thiourea

InChI: InChI=1S/C21H21N3O2S2/c1-2-3-13-26-17-11-9-16(10-12-17)19(25)23-20(27)24-21-22-18(14-28-21)15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H2,22,23,24,25,27)

Composition: C (61.29%), H (5.14%), N (10.21%), O (7.78%), S (15.58%)

Molar Mass: 411.54

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	411.107519276
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QSSKQGNREYEEPA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	117.61
Topological Polar Surface Area	63.25
Polarizability	45.95
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00