3-(3-bromo-4-methoxybenzoyl)-1-[4-(dimethylamino)phenyl]thiourea

3-(3-bromo-4-methoxybenzoyl)-1-[4-(dimethylamino)phenyl]thiourea

Formula: C17H18BrN3O2S

SMILES: COC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC=C(C=C1)N(C)C

IUPAC: 3-(3-bromo-4-methoxybenzoyl)-1-[4-(dimethylamino)phenyl]thiourea

InChI: InChI=1S/C17H18BrN3O2S/c1-21(2)13-7-5-12(6-8-13)19-17(24)20-16(22)11-4-9-15(23-3)14(18)10-11/h4-10H,1-3H3,(H2,19,20,22,24)

Composition: C (50.01%), H (4.44%), Br (19.57%), N (10.29%), O (7.84%), S (7.85%)

Molar Mass: 408.31

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	407.030311
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HKBQWBMLHQTFBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.34
Topological Polar Surface Area	53.6
Polarizability	39.24
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00