Pyrrolidine-1-sulfonyl Chloride - CAS 1689-02-7

Catalog:	BB012504
Product Name:	Pyrrolidine-1-sulfonyl Chloride
CAS:	1689-02-7
Synonyms:	1-pyrrolidinesulfonyl chloride; pyrrolidine-1-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	pyrrolidine-1-sulfonyl chloride
Description:	Pyrrolidine-1-sulfonyl Chloride (CAS# 1689-02-7) is a useful research chemical.
Molecular Weight:	169.63
Molecular Formula:	C4H8ClNO2S
Canonical SMILES:	C1CCN(C1)S(=O)(=O)Cl
InChI:	InChI=1S/C4H8ClNO2S/c5-9(7,8)6-3-1-2-4-6/h1-4H2
InChI Key:	JRIQCVWTPGVBBH-UHFFFAOYSA-N
Boiling Point:	257.5 °C at 760 mmHg
Density:	1.48 g/cm³
MDL:	MFCD07801104
LogP:	1.58450

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-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
WO-2021000770-A1	Heterocyclic compound capable of enhancing immune activity, preparation method therefor and application in medicine	20190702
US-2020407344-A1	Compounds for the treatment of braf-associated diseases and disorders	20190628

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Related Functional Groups

Sulfur Compounds

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[162894-76-0]
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[1005626-64-1]
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[832739-83-0]
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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.9964274
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.9964274
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8