1-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3-(2-bromobenzoyl)thiourea

1-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3-(2-bromobenzoyl)thiourea

Formula: C22H17BrN4OS

SMILES: CC1=CC=C(C=C1NC(=S)NC(=O)C1=CC=CC=C1Br)C1=NC2=CC=CC=C2N1

IUPAC: 1-[5-(1H-1,3-benzodiazol-2-yl)-2-methylphenyl]-3-(2-bromobenzoyl)thiourea

InChI: InChI=1S/C22H17BrN4OS/c1-13-10-11-14(20-24-17-8-4-5-9-18(17)25-20)12-19(13)26-22(29)27-21(28)15-6-2-3-7-16(15)23/h2-12H,1H3,(H,24,25)(H2,26,27,28,29)

Composition: C (56.78%), H (3.68%), Br (17.17%), N (12.04%), O (3.44%), S (6.89%)

Molar Mass: 465.37

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	464.030645
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	VWJVNWXLNQTPKA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.5
Topological Polar Surface Area	69.81
Polarizability	48.16
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17BrN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00