1-[(E)-({2-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)amino]-3-methylthiourea

1-[(E)-({2-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)amino]-3-methylthiourea

Formula: C21H27N3O3S

SMILES: CNC(=S)NN=CC1=CC=CC(OC)=C1OCCCOC1=CC=C(C)C(C)=C1

IUPAC: 1-[(E)-({2-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl}methylidene)amino]-3-methylthiourea

InChI: InChI=1S/C21H27N3O3S/c1-15-9-10-18(13-16(15)2)26-11-6-12-27-20-17(7-5-8-19(20)25-4)14-23-24-21(28)22-3/h5,7-10,13-14H,6,11-12H2,1-4H3,(H2,22,24,28)/b23-14+

Composition: C (62.82%), H (6.78%), N (10.47%), O (11.95%), S (7.98%)

Molar Mass: 401.53

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.177312915
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SVAMPLGYAFEQKX-OEAKJJBVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.56
Topological Polar Surface Area	64.11
Polarizability	44.8
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00