Cyclopentanesulfonyl chloride - CAS 26394-17-2

Catalog:	BB019268
Product Name:	Cyclopentanesulfonyl chloride
CAS:	26394-17-2
Synonyms:	cyclopentanesulfonyl chloride

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Computed Properties

IUPAC Name:	cyclopentanesulfonyl chloride
Description:	Cyclopentanesulfonyl chloride (CAS# 26394-17-2) is a useful research chemical.
Molecular Weight:	168.64
Molecular Formula:	C5H9ClO2S
Canonical SMILES:	C1CCC(C1)S(=O)(=O)Cl
InChI:	InChI=1S/C5H9ClO2S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2
InChI Key:	HZVKYZHPDGEECE-UHFFFAOYSA-N
Boiling Point:	99 °C / 7 mmHg
Purity:	95 %
Density:	1.279 g/mL at 25 °C
Appearance:	Colorless to tan liquid
MDL:	MFCD04117774
LogP:	2.57840

Publication Number	Title	Priority Date
WO-2021158516-A1	IRE1Î± MODULATORS AND USES THEREOF	20200203
WO-2021116050-A1	New braf inhibitors as paradox breakers	20191210
WO-2021055849-A1	Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents	20190919
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JP-2020193153-A	N, N'-diarylurea derivative and heat-sensitive recording material using it	20190524

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[42729-26-0]
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[1778-09-2]
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[1879-16-9]
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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0011784
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.0011784
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7