1-[2-(Methylsulphonyl)phenyl]piperazine - CAS 313490-26-5

Name: 1-[2-(Methylsulphonyl)phenyl]piperazine
Brand: BOC Sciences
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Catalog:	BB020884
Product Name:	1-[2-(Methylsulphonyl)phenyl]piperazine
CAS:	313490-26-5
Synonyms:	1-(2-methylsulfonylphenyl)piperazine; 1-(2-methylsulfonylphenyl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-(2-methylsulfonylphenyl)piperazine
Description:	1-[2-(Methylsulphonyl)phenyl]piperazine (CAS# 313490-26-5) is a useful research chemical.
Molecular Weight:	240.32
Molecular Formula:	C11H16N2O2S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1N2CCNCC2
InChI:	InChI=1S/C11H16N2O2S/c1-16(14,15)11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key:	INKLJEOCOONOOR-UHFFFAOYSA-N
Boiling Point:	454.3 °C at 760 mmHg
Density:	1.204 g/cm³
LogP:	1.97430

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Related Functional Groups

Piperazines

[25629-32-7]C6H10N2O3
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[5896-75-3]C20H25N3O3
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[1187874-30-1]C15H15F3N4O
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[104481-24-5]C10H15N3O2S
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1197236-47-7]C14H24ClN5O3
Ethyl 4-[2-(4-amino-3-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate hydrochloride
[1095010-42-6]C11H15N3O4S
N-(5-Methylsulphonyl-2-nitrophenyl)piperazine

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Publication Number	Title	Priority Date
US-2020399268-A1	Pharmaceutical 6,5 Heterobicyclic Ring Derivatives	20180216
CN-103936650-A	Imide phenylpiperazine derivatives as well as salts, preparation method and application of imide phenylpiperazine derivatives	20140423
CN-103936650-B	Acid imide Phenylpiperazine derivatives and salt, preparation method and purposes	20140423
CN-104046246-B	The chemical-mechanical planarization of tungsten-containing substrate	20130312
WO-2013066729-A1	Aminopyrimidinones as interleukin receptor-associated kinase inhibitors	20111031

Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.09324893
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.09324893
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6