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3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride

3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride - CAS 4886-16-2

Catalog:	BB045258
Product Name:	3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
CAS:	4886-16-2
Synonyms:	4-Isothiazolecarbonyl chloride, 3,5-bis(methylthio)-

Technical Data

Computed Properties

IUPAC Name:	3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
Description:	3,5-Bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride (CAS# 4886-16-2 ) is a useful research chemical.
Molecular Weight:	239.77
Molecular Formula:	C6H6ClNOS3
Canonical SMILES:	CSC1=C(C(=NS1)SC)C(=O)Cl
InChI:	InChI=1S/C6H6ClNOS3/c1-10-5-3(4(7)9)6(11-2)12-8-5/h1-2H3
InChI Key:	RGTALKSXFRVNIG-UHFFFAOYSA-N
Boiling Point:	246.5±40.0 °C
Density:	1.51±0.1 g/cm³

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Related Functional Groups

Halides

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
[5071-96-5]
3-Methoxybenzylamine

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[3973-08-8]
4-Thiazolecarboxylic acid
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[1072145-33-5]
ERRα antagonist-1
[56355-79-4]
Ethyl 2-(2-bromothiazol-4-yl)acetate

Sulfur Compounds

[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]
4'-(Methylthio)acetophenone
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.930005
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.930005
Rotatable Bond Count:	3
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2