3-Methylisothiazole-5-carboxylic acid, 95%

Name: 3-Methylisothiazole-5-carboxylic acid
Brand: Chempure

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CAS Number

66975-83-5

Molecular Weight

143.16

Formula

C5H5NO2S

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About this item

IUPAC name	3-methyl-1,2-thiazole-5-carboxylic acid
inchi	InChI=1S/C5H5NO2S/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
inchi key	YANZAAFELHVNQZ-UHFFFAOYSA-N
molecular formula	C5H5NO2S
synonyms	66975-83-5 3-methyl-1,2-thiazole-5-carboxylic acid 3-METHYLISOTHIAZOLE-5-CARBOXYLIC ACID 3-Methyl-isothiazole-5-carboxylic acid 3-Methyl-5-isothiazolecarboxylic acid

Computed Properties

Molecular Weight:	143.17 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	143.00409958 g/mol
Monoisotopic Mass:	143.00409958 g/mol
Topological Polar Surface Area:	78.4 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	128
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: DW0243

3-Methylisothiazole-5-carboxylic acid, 95%

Product No: DW0243

About this item

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Product No: DW0243

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?