1-[(2-Methylphenyl)sulfanylmethyl]piperidine

1-[(2-methylphenyl)sulfanylmethyl]piperidine;2,4,6-trinitrophenol

Also Known As: 1-[(2-methylphenyl)sulfanylmethyl]piperidine|3-tert-butyl-1-phenyl-5(1H)-pyrazolone|2,4,6-trinitrophenol- 1-{[(2-methylphenyl)sulfanyl]methyl}piperidine(1:1)|1-[(2-methylphenyl)sulfanylmethyl]piperidine,2,4,6-trinitrop|1-[(2-methylphenyl)sulfanylmethyl]piperidine,2,4,6-trinitrophenol|1-[(2-methylphenyl)sulfanylmethyl]piperidine; 2,4,6-trinitrophenol|2,4,6-Trinitrophenol--1-{[(2-methylphenyl)sulfanyl]methyl}piperidine (1/1)

Molecular Formula	C19H22N4O7S
Molecular Weight	450.1209 g/mol
LogP	4.64732
Topological Polar Surface Area	186.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	450.1209
Monoisotopic Mass	450.1209
Heavy Atoms	31
Complexity	469.0

Chemical Identifiers

CAS Number	75312-66-2
SMILES	CC1=CC=CC=C1SCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
InChIKey	AXRQGICOFGGJER-UHFFFAOYSA-N