3-butanoyl-1-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiourea

3-butanoyl-1-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiourea

Formula: C20H21N3O2S

SMILES: CCCC(=O)NC(=S)NC1=CC=CC(=C1)C1=NC2=CC(CC)=CC=C2O1

IUPAC: 3-butanoyl-1-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiourea

InChI: InChI=1S/C20H21N3O2S/c1-3-6-18(24)23-20(26)21-15-8-5-7-14(12-15)19-22-16-11-13(4-2)9-10-17(16)25-19/h5,7-12H,3-4,6H2,1-2H3,(H2,21,23,24,26)

Composition: C (65.37%), H (5.76%), N (11.44%), O (8.71%), S (8.72%)

Molar Mass: 367.47

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	367.135448102
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KCMMCGCVZFETNR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	117.79
Topological Polar Surface Area	67.16
Polarizability	42.73
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00