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1-Isobutyl-3-methyl-1h-pyrazole-5-sulfonyl chloride

1-Isobutyl-3-methyl-1h-pyrazole-5-sulfonyl chloride - CAS 1245806-70-5

Catalog:	BB053326
Product Name:	1-Isobutyl-3-methyl-1h-pyrazole-5-sulfonyl chloride
CAS:	1245806-70-5
Synonyms:	1-isobutyl-3-methyl-1h-pyrazole-5-sulfonylchloride

Technical Data

Computed Properties

IUPAC Name:	5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl chloride
Molecular Weight:	236.72
Molecular Formula:	C8H13ClN2O2S
Canonical SMILES:	CC1=NN(C(=C1)S(=O)(=O)Cl)CC(C)C
InChI:	InChI=1S/C8H13ClN2O2S/c1-6(2)5-11-8(14(9,12)13)4-7(3)10-11/h4,6H,5H2,1-3H3
InChI Key:	WIABXQPBHUWBFP-UHFFFAOYSA-N
Boiling Point:	337.9±30.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[452-76-6]
2,4-Difluorotoluene

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0386265
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.0386265
Rotatable Bond Count:	3
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3