1-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperidine

1-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperidine

CAS: 477869-44-6

Formula: C19H22N2O2S

SMILES: CC1=CC=C(SC2=C(C=C(CN3CCCCC3)C=C2)[N+]([O-])=O)C=C1

IUPAC: 1-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperidine

InChI: InChI=1S/C19H22N2O2S/c1-15-5-8-17(9-6-15)24-19-10-7-16(13-18(19)21(22)23)14-20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3

Composition: C (66.64%), H (6.48%), N (8.18%), O (9.34%), S (9.36%)

Molar Mass: 342.46

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	342.14019913
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DMCGEDUQPQSKBS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.79
Topological Polar Surface Area	46.38
Polarizability	38.43
Ring Count	3
Rotatable Bond Count	5

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90%	<2 Days	477869-44-6		$51.35-$524.40$51.35$63.37$86.31$524.40