1-Methanesulfonylpiperazine - CAS 55276-43-2

Catalog:	BB028976
Product Name:	1-Methanesulfonylpiperazine
CAS:	55276-43-2
Synonyms:	1-methylsulfonylpiperazine; 1-methylsulfonylpiperazine

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Computed Properties

IUPAC Name:	1-methylsulfonylpiperazine
Description:	1-Methanesulfonylpiperazine (CAS# 55276-43-2) is a useful research chemical.
Molecular Weight:	164.23
Molecular Formula:	C5H12N2O2S
Canonical SMILES:	CS(=O)(=O)N1CCNCC1
InChI:	InChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChI Key:	ZZAKLGGGMWORRT-UHFFFAOYSA-N
Boiling Point:	280.6 °C at 760 mmHg
Density:	1.29 g/cm³
MDL:	MFCD02153225
LogP:	0.19870

Publication Number	Title	Priority Date
CN-113264903-A	Phenothiazine compound and preparation method and application thereof	20210527
CN-113372263-A	Preparation method of 2-chloro-3-aminonaphthoquinone compound	20210521
CN-113200969-A	PI3K alpha selective inhibitor and preparation method and application thereof	20210519
CN-113200908-A	Tertiary amine-containing anthranilamide compound and preparation and application thereof	20210409
CN-112592114-A	Waterproof and antirust material for PC (polycarbonate) component	20201214

PMID	Publication Date	Title	Journal
21579786	20100116	4-(Methyl-sulfon-yl)piperazin-1-ium chloride	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.06194880
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.06194880
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1