1-[(E)-({2-[2-(3-ethyl-5-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)amino]-3-methylthiourea

1-[(E)-({2-[2-(3-ethyl-5-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)amino]-3-methylthiourea

Formula: C20H24N4O4S

SMILES: CCC1=CC(OCCOC2=CC=C(C=C2C=NNC(=S)NC)[N+]([O-])=O)=CC(C)=C1

IUPAC: 1-[(E)-({2-[2-(3-ethyl-5-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)amino]-3-methylthiourea

InChI: InChI=1S/C20H24N4O4S/c1-4-15-9-14(2)10-18(11-15)27-7-8-28-19-6-5-17(24(25)26)12-16(19)13-22-23-20(29)21-3/h5-6,9-13H,4,7-8H2,1-3H3,(H2,21,23,29)/b22-13+

Composition: C (57.68%), H (5.81%), N (13.45%), O (15.37%), S (7.70%)

Molar Mass: 416.5

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	416.151826443
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HACMFEZKMFLRSR-LPYMAVHISA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.15
Topological Polar Surface Area	98.02
Polarizability	44.15
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H24N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00