2-Bromo-5-methylthiazole - CAS 41731-23-1

Catalog:	BB024942
Product Name:	2-Bromo-5-methylthiazole
CAS:	41731-23-1
Synonyms:	2-bromo-5-methylthiazole; 2-bromo-5-methyl-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-methyl-1,3-thiazole
Description:	2-Bromo-5-methylthiazole (CAS# 41731-23-1) is a useful research chemical used in the preparation of (thiazolylalkyl)sulfoximine derivatives. and insecticidal activity against Myzus persicae.
Molecular Weight:	178.05
Molecular Formula:	C4H4BrNS
Canonical SMILES:	CC1=CN=C(S1)Br
InChI:	InChI=1S/C4H4BrNS/c1-3-2-6-4(5)7-3/h2H,1H3
InChI Key:	FJPZHYAYNAUKKA-UHFFFAOYSA-N
Boiling Point:	192-200 °C
Density:	1.702 g/cm³
MDL:	MFCD08460610
LogP:	2.21400

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-102293986-B1	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
KR-20210052330-A	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
WO-2021086077-A1	Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease	20191030

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GHS Hazard Statement:	H302 (66.67%): 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, P337+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:	176.92478
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.92478
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4