2-Chloro-5-methylthiazole - CAS 33342-65-3

Catalog:	BB021678
Product Name:	2-Chloro-5-methylthiazole
CAS:	33342-65-3
Synonyms:	2-chloro-5-methylthiazole; 2-chloro-5-methyl-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-methyl-1,3-thiazole
Description:	2-Chloro-5-methylthiazole (CAS# 33342-65-3) is a useful research chemical.
Molecular Weight:	133.60
Molecular Formula:	C4H4ClNS
Canonical SMILES:	CC1=CN=C(S1)Cl
InChI:	InChI=1S/C4H4ClNS/c1-3-2-6-4(5)7-3/h2H,1H3
InChI Key:	RTEUDRWHKUPKJB-UHFFFAOYSA-N
Boiling Point:	202.7 °C at 760 mmHg
Density:	1.331 g/cm³
MDL:	MFCD03265390
LogP:	2.10490

Publication Number	Title	Priority Date
WO-2015136463-A1	Chemical compounds acting as perk inhibitors	20140311
WO-2015114157-A1	Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests	20140203
WO-2014206909-A1	Thiophene- or furan-substituted isothiazoline compounds as pesticides	20130624
WO-2014172871-A1	Dihydrobenzofuran derivatives as insecticidal compounds	20130425
EP-2955179-A1	Condensed heterocyclic compound	20130206

PMID	Publication Date	Title	Journal
15849408	20050401	Prodrug-oriented molecular design of neonicotinoids: preparation of imidacloprid-related 5,5-dimethoxy-1,3-diazacyclohexane derivatives and their insecticidal activity	Bioscience, biotechnology, and biochemistry

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Related Functional Groups

Oxazole/Thiazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	68.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.9752980
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.9752980
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3