4-Oxocyclohexane-1-sulfonyl Chloride - CAS 1262409-43-7

Catalog:	BB006540
Product Name:	4-Oxocyclohexane-1-sulfonyl Chloride
CAS:	1262409-43-7
Synonyms:	4-oxo-1-cyclohexanesulfonyl chloride; 4-oxocyclohexane-1-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-oxocyclohexane-1-sulfonyl chloride
Description:	4-Oxocyclohexane-1-sulfonyl Chloride (CAS# 1262409-43-7) is used as a reagent in the synthesis of pyrrolopyridines as CDK9 kinase inhibitors useful in the treatment of cancer.
Molecular Weight:	196.65
Molecular Formula:	C6H9ClO3S
Canonical SMILES:	C1CC(=O)CCC1S(=O)(=O)Cl
InChI:	InChI=1S/C6H9ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h6H,1-4H2
InChI Key:	IJOOLKIYFVIJNU-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.14750

Publication Number	Title	Priority Date
TW-202100520-A	Pyrazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190305
US-2021017156-A1	Pyrazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190305
WO-2020180959-A1	Pyrazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190305
WO-2020073011-A1	Compounds and compositions for treating conditions associated with apj receptor activity	20181005
TW-202028210-A	Compounds and compositions for treating conditions associated with apj receptor activity	20181005

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Related Functional Groups

Sulfur Compounds

[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[60-23-1]
Cysteamine
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[162515-68-6]
1-(Mercaptomethyl)cyclopropaneacetic Acid

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:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.9960930
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.9960930
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6