2-Bromothiazole - CAS 3034-53-5

Catalog:	BB020564
Product Name:	2-Bromothiazole
CAS:	3034-53-5
Synonyms:	2-bromo-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1,3-thiazole
Description:	2-Bromothiazole (CAS# 3034-53-5) is a heterocyclic S compound to induce base-pair substitution and having mutagenic activity.
Molecular Weight:	164.02
Molecular Formula:	C3H2BrNS
Canonical SMILES:	C1=CSC(=N1)Br
InChI:	InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H
InChI Key:	RXNZFHIEDZEUQM-UHFFFAOYSA-N
Boiling Point:	171 °C
Purity:	98 %
Density:	1.82 g/cm³
MDL:	MFCD00005316
LogP:	1.90560

Publication Number	Title	Priority Date
CN-113214137-A	Aryl ketone peptide deformylase inhibitor and application thereof in antibacterial and antitumor aspects	20210519
CN-112898226-A	Preparation method of 2-alkyl substituted thiazole compound	20210127
CN-112094508-A	Solvent-free coupling synthesis process of disperse blue 360	20200911
WO-2021169194-A1	Application of tetrahydropalmatine in preparation of drugs against oxaliplatin-induced peripheral neurotoxicity	20200225
WO-2021164746-A1	Substituted aryl compound	20200219

PMID	Publication Date	Title	Journal
21736384	20110819	Regioselective functionalization of the thiazole scaffold using TMPMgCl·LiCl and TMP2Zn·2MgCl2·2LiCl	The Journal of organic chemistry
21067219	20101203	Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers	Organic letters
15125971	20040607	Synthesis and biological activity of N-aryl-2-aminothiazoles: potent pan inhibitors of cyclin-dependent kinases	Bioorganic & medicinal chemistry letters
15049634	20040402	Use of thiazoles in the halogen dance reaction: application to the total synthesis of WS75624 B	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	50.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.90913
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.90913
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8