2-Methylthiazole-4-carbonyl Chloride - CAS 55842-53-0

Catalog:	BB029193
Product Name:	2-Methylthiazole-4-carbonyl Chloride
CAS:	55842-53-0
Synonyms:	2-methyl-4-thiazolecarbonyl chloride; 2-methyl-1,3-thiazole-4-carbonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-1,3-thiazole-4-carbonyl chloride
Description:	2-Methylthiazole-4-carbonyl Chloride (CAS# 55842-53-0) is a useful research chemical.
Molecular Weight:	161.61
Molecular Formula:	C5H4ClNOS
Canonical SMILES:	CC1=NC(=CS1)C(=O)Cl
InChI:	InChI=1S/C5H4ClNOS/c1-3-7-4(2-9-3)5(6)8/h2H,1H3
InChI Key:	KHORPZFSYQUYDV-UHFFFAOYSA-N
Boiling Point:	228.3 °C at 760 mmHg
Density:	1.407 g/cm³
MDL:	MFCD09991914
LogP:	1.83050

Publication Number	Title	Priority Date
EP-2613781-A1	Indazole derivatives for use in the treatment of influenza virus infection	20100908
JP-2013539471-A	Indazole derivatives for use in the treatment of influenza virus infection	20100908
JP-5876051-B2	Indazole derivatives for use in the treatment of influenza virus infection	20100908
US-2013165433-A1	Novel Use	20100908
US-9326987-B2	Indazole derivatives for use in the treatment of influenza virus infection	20100908

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.9702126
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.9702126
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2