5-Bromo-2-methylbenzothiazole - CAS 63837-11-6

Catalog:	BB032297
Product Name:	5-Bromo-2-methylbenzothiazole
CAS:	63837-11-6
Synonyms:	5-bromo-2-methyl-1,3-benzothiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-2-methyl-1,3-benzothiazole
Description:	5-Bromo-2-methylbenzothiazole (CAS# 63837-11-6) is a useful research chemical.
Molecular Weight:	228.11
Molecular Formula:	C8H6BrNS
Canonical SMILES:	CC1=NC2=C(S1)C=CC(=C2)Br
InChI:	InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key:	OLQKNZNXLBILDD-UHFFFAOYSA-N
Boiling Point:	299.1 °C at 760 mmHg
Melting Point:	79 °C
Purity:	96 %
Density:	1.644 g/cm³
Appearance:	Solid
LogP:	3.36720

Publication Number	Title	Priority Date
CN-111217806-A	Hemicyanine compound based on benzothiazole-linked heterocycle and preparation method and application thereof	20200303
CN-111217806-B	Hemicyanine compound based on benzothiazole-linked heterocycle and preparation method and application thereof	20200303
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CN-111116573-B	Near-infrared fluorescent probe for simultaneously detecting DNA and RNA under dual channels and preparation method and application thereof	20191231
CN-113045563-A	Preparation method of blue light spectrum sensitizing agent	20191227

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Related Functional Groups

Benzoxazole/Benzothiazole

[313402-37-8]
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[6481-01-2]
2,5,7-Trichlorobenzoxazole
[944897-57-8]
6-Methylbenzoxazole-2-methanamine
[1035840-69-7]
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole
[202396-52-9]
6-Chloro-2-(chloromethyl)benzoxazole
[544704-75-8]
7-Bromo-2-(3-fluoro-4-methoxyphenyl)-5-methoxybenzo[d]oxazole

Oxazole/Thiazole

[3973-08-8]
4-Thiazolecarboxylic acid
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[937597-96-1]
Ethyl 2-(phenylamino)-4-(trifluoromethyl)thiazole-5-carboxylate
[886498-27-7]
Ethyl 2-(Sec-butylamino)-4-(trifluoromethyl)thiazole-5-carboxylate
[886497-55-8]
Ethyl 2-(sec-butylamino)-4-methylthiazole-5-carboxylate

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.94043
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.94043
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5