2-Propanesulfonyl chloride - CAS 10147-37-2

Catalog:	BB000517
Product Name:	2-Propanesulfonyl chloride
CAS:	10147-37-2
Synonyms:	propane-2-sulfonyl chloride

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Computed Properties

IUPAC Name:	propane-2-sulfonyl chloride
Description:	2-Propanesulfonyl chloride (CAS# 10147-37-2) is a pharmaceutical intermediate. Reagent for the sulfenylation of indoles.
Molecular Weight:	142.60
Molecular Formula:	C3H7ClO2S
Canonical SMILES:	CC(C)S(=O)(=O)Cl
InChI:	InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
InChI Key:	DRINJBFRTLBHNF-UHFFFAOYSA-N
Boiling Point:	74-75 °C / 19 mmHg (lit.), 181.4 °C at 760 mmHg
Purity:	98 %
Density:	1.27 g/mL at 25 °C (lit.)
Appearance:	Colorless to light yellow liquid
MDL:	MFCD00007453
LogP:	2.04420

Publication Number	Title	Priority Date
US-2016264582-A1	(Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use	20150313
WO-2015187088-A1	Mth1 inhibitors for treatment of cancer	20140604
WO-2015187089-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604
WO-2015185207-A1	Alkyl and aryl derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain	20140602
US-2015291604-A1	Dihydropyrrolopyrimidine derivatives	20140410

PMID	Publication Date	Title	Journal
19325793	20080501	Concerted solvent processes for common sulfonyl chloride precursors used in the synthesis of sulfonamide-based drugs	International journal of molecular sciences
16604227	20060421	Rate and product studies in the solvolyses of N,N-dimethylsulfamoyl and 2-propanesulfonyl chlorides	Organic & biomolecular chemistry

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Related Functional Groups

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[2006276-82-8]
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[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.9855283
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.9855283
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2