1-(Phenylsulfinyl)piperidine - CAS 4972-31-0

Catalog:	BB026809
Product Name:	1-(Phenylsulfinyl)piperidine
CAS:	4972-31-0
Synonyms:	1-(benzenesulfinyl)piperidine

Technical Data

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Computed Properties

IUPAC Name:	1-(benzenesulfinyl)piperidine
Description:	1-(Phenylsulfinyl)piperidine (CAS# 4972-31-0) is a useful research chemical.
Molecular Weight:	209.31
Molecular Formula:	C11H15NOS
Canonical SMILES:	C1CCN(CC1)S(=O)C2=CC=CC=C2
InChI:	InChI=1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChI Key:	LBRJCAJLGAXDKP-UHFFFAOYSA-N
Boiling Point:	354.2 °C at 760 mmHg
Density:	1.22 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD05155800
LogP:	2.99870

Publication Number	Title	Priority Date
US-2021299261-A1	Compositions and methods for targeted rna delivery	20200304
WO-2021178725-A1	Compositions and methods for targeted rna delivery	20200304
WO-2019106200-A1	Vaccine against klebsiella pneumoniae	20171130
AU-2018375986-A1	Vaccine against Klebsiella pneumoniae	20171130
CA-3082951-A1	Vaccine against klebsiella pneumoniae	20171130

PMID	Publication Date	Title	Journal
19924835	20091218	Highly stereoselective synthesis of alpha-D-mannopyranosyl phosphosugars	The Journal of organic chemistry
19070835	20090217	Pre-activation of fully acetylated dodecyl thioglycosides with BSP-Tf2O led to efficient glycosylation at low temperature	Carbohydrate research
19132946	20090116	Stereocontrolled synthesis of D- and L-beta-rhamnopyranosides with 4-O-6-S-alpha-cyanobenzylidene-protected 6-thiorhamnopyranosyl thioglycosides	The Journal of organic chemistry
18826233	20081106	Is donor-acceptor hydrogen bonding necessary for 4,6-O-benzylidene-directed beta-mannopyranosylation? Stereoselective synthesis of beta-C-mannopyranosides and alpha-C-glucopyranosides	Organic letters
17725351	20070926	Synthesis and glycosylation of a series of 6-mono-, di-, and trifluoro S-phenyl 2,3,4-tri-O-benzyl-thiorhamnopyranosides. Effect of the fluorine substituents on glycosylation stereoselectivity	Journal of the American Chemical Society

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.08743528
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.08743528
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4