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3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt - CAS 2039-96-5

Catalog:	BB015893
Product Name:	3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
CAS:	2039-96-5
Synonyms:	sodium;3-trimethylsilylpropane-1-sulfonate

Technical Data

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Computed Properties

IUPAC Name:	sodium;3-trimethylsilylpropane-1-sulfonate
Description:	3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt (CAS# 2039-96-5) is a useful research chemical.
Molecular Weight:	218.32
Molecular Formula:	C6H15NaO3SSi
Canonical SMILES:	C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1
InChI Key:	HWEXKRHYVOGVDA-UHFFFAOYSA-M
Purity:	> 98.0 % (T)
Appearance:	White to slightly beige crystalline powder
MDL:	MFCD00007537
LogP:	2.34070

Publication Number	Title	Priority Date
WO-2021183896-A1	Methods of modulating gastrointestinal microbial metabolic pathways and metabolites	20200313
WO-2021172326-A1	Determination of modification degree of therapeutic proteins using 1h-nmr spectroscopy	20200224
WO-2021150621-A1	Spacer-mediated control of uncaging photocaged molecules	20200121
WO-2021140789-A1	Method for decomposing chitin and method for producing chitin oligosaccharide-containing composition	20200110
US-2021189499-A1	Urinary metabolomic biomarkers for detecting colorectal cancer and polyps	20191223

PMID	Publication Date	Title	Journal
22029275	20111215	Measurement of absolute concentrations of individual compounds in metabolite mixtures by gradient-selective time-zero 1H-13C HSQC with two concentration references and fast maximum likelihood reconstruction analysis	Analytical chemistry
20461246	20100614	Shuttle DNP spectrometer with a two-center magnet	Physical chemistry chemical physics : PCCP
19499954	20090615	Expanding the pH range of metal-nucleobase complexes for acid-base chemistry: properties of bis(guanine) complexes of (bpy)Pt(II) with either two major or major and minor tautomers bonded simultaneously	Inorganic chemistry
19299099	20090501	A quantitative NMR protocol for the simultaneous analysis of atropine and obidoxime in parenteral injection devices	Journal of pharmaceutical and biomedical analysis
19209603	20090101	Photodegradation of triphenylamino methane (magenta) by photosensitizer in oxygenated solutions	Environmental science & technology

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Related Functional Groups

Sulfur Compounds

[123-43-3]
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[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.04088633
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.04088633
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0