1-[(E)-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)amino]-3-ethylthiourea

1-[(E)-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)amino]-3-ethylthiourea

Formula: C22H28BrN3O3S

SMILES: CCNC(=S)NN=CC1=CC(Br)=C(OCCOC2=CC=C(C)C(C)=C2)C(OCC)=C1

IUPAC: 1-[(E)-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)amino]-3-ethylthiourea

InChI: InChI=1S/C22H28BrN3O3S/c1-5-24-22(30)26-25-14-17-12-19(23)21(20(13-17)27-6-2)29-10-9-28-18-8-7-15(3)16(4)11-18/h7-8,11-14H,5-6,9-10H2,1-4H3,(H2,24,26,30)/b25-14+

Composition: C (53.44%), H (5.71%), Br (16.16%), N (8.50%), O (9.71%), S (6.48%)

Molar Mass: 494.45

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	493.103476
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WYVIEYORUSPGFT-AFUMVMLFSA-N
Lipinski's Rule of Five
Molar Refractivity	129.81
Topological Polar Surface Area	64.11
Polarizability	49.36
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28BrN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00