4-methyl-1,2,3-thiadiazole-5-carbonyl chloride - CAS 59944-65-9

Catalog:	BB053522
Product Name:	4-methyl-1,2,3-thiadiazole-5-carbonyl chloride
CAS:	59944-65-9
Synonyms:	1,2,3-Thiadiazole-5-carbonylchloride, 4-methyl-; 4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-methylthiadiazole-5-carbonyl chloride
Molecular Weight:	162.6
Molecular Formula:	C4H3ClN2OS
Canonical SMILES:	CC1=C(SN=N1)C(=O)Cl
InChI:	InChI=1S/C4H3ClN2OS/c1-2-3(4(5)8)9-7-6-2/h1H3
InChI Key:	SDNDOCTUXWLDIX-UHFFFAOYSA-N
Boiling Point:	239.9±32.0 °C at 760 mmHg
Purity:	90%
Density:	1.5±0.1 g/cm3
Appearance:	Liquid

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1171337-26-0]
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.9654616
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.9654616
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7