3-(2-bromo-4,5-dimethylphenyl)-1-(4-chlorobenzoyl)thiourea

3-(2-bromo-4,5-dimethylphenyl)-1-(4-chlorobenzoyl)thiourea

Formula: C16H14BrClN2OS

SMILES: CC1=C(C)C=C(NC(=S)NC(=O)C2=CC=C(Cl)C=C2)C(Br)=C1

IUPAC: 3-(2-bromo-4,5-dimethylphenyl)-1-(4-chlorobenzoyl)thiourea

InChI: InChI=1S/C16H14BrClN2OS/c1-9-7-13(17)14(8-10(9)2)19-16(22)20-15(21)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H2,19,20,21,22)

Composition: C (48.32%), H (3.55%), Br (20.09%), Cl (8.91%), N (7.04%), O (4.02%), S (8.06%)

Molar Mass: 397.72

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	395.969875
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	BLHUAOUMZLJYPA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.33
Topological Polar Surface Area	41.13
Polarizability	37.31
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14BrClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00