3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethylbenzoyl)thiourea

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethylbenzoyl)thiourea

Formula: C19H16BrN3OS2

SMILES: CC1=CC=C(C=C1C)C(=O)NC(=S)NC1=NC(=CS1)C1=CC=C(Br)C=C1

IUPAC: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethylbenzoyl)thiourea

InChI: InChI=1S/C19H16BrN3OS2/c1-11-3-4-14(9-12(11)2)17(24)22-18(25)23-19-21-16(10-26-19)13-5-7-15(20)8-6-13/h3-10H,1-2H3,(H2,21,22,23,24,25)

Composition: C (51.12%), H (3.61%), Br (17.90%), N (9.41%), O (3.58%), S (14.36%)

Molar Mass: 446.38

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	444.991817
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KGUHJKDCASPJEI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	114.98
Topological Polar Surface Area	54.02
Polarizability	44.11
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16BrN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00