1-(3-acetylphenyl)-3-(3-bromo-4-ethoxybenzoyl)thiourea

1-(3-acetylphenyl)-3-(3-bromo-4-ethoxybenzoyl)thiourea

Formula: C18H17BrN2O3S

SMILES: CCOC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC=CC(=C1)C(C)=O

IUPAC: 1-(3-acetylphenyl)-3-(3-bromo-4-ethoxybenzoyl)thiourea

InChI: InChI=1S/C18H17BrN2O3S/c1-3-24-16-8-7-13(10-15(16)19)17(23)21-18(25)20-14-6-4-5-12(9-14)11(2)22/h4-10H,3H2,1-2H3,(H2,20,21,23,25)

Composition: C (51.32%), H (4.07%), Br (18.97%), N (6.65%), O (11.39%), S (7.61%)

Molar Mass: 421.31

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	420.014327
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CHMULZRZAIIVRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.06
Topological Polar Surface Area	67.43
Polarizability	40.02
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00