5-bromobenzothiazole - CAS 768-11-6

Catalog:	BB035707
Product Name:	5-bromobenzothiazole
CAS:	768-11-6
Synonyms:	5-bromo-1,3-benzothiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,3-benzothiazole
Description:	5-bromobenzothiazole (CAS# 768-11-6) is a useful research chemical.
Molecular Weight:	214.08
Molecular Formula:	C7H4BrNS
Canonical SMILES:	C1=CC2=C(C=C1Br)N=CS2
InChI:	InChI=1S/C7H4BrNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChI Key:	KFDDRUWQFQJGNL-UHFFFAOYSA-N
Boiling Point:	291.5 °C at 760 mmHg
Purity:	98 %
Density:	1.748 g/cm³
Appearance:	Powder
MDL:	MFCD03001442
LogP:	3.05880

Publication Number	Title	Priority Date
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
WO-2021108581-A1	Potent and selective azaindole inhibitors of cdk8 and cdk19	20191126
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WO-2021009335-A1	Substituted pyridazinones as herbicides	20190718
WO-2020169804-A1	Fused glycosidase inhibitors	20190222

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Related Functional Groups

Benzoxazole/Benzothiazole

[101253-50-3]
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[6481-01-2]
2,5,7-Trichlorobenzoxazole
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
[329222-92-6]
Propyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[944907-49-7]
6-Bromobenzoxazole-2-methanamine
[1035840-69-7]
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole

Oxazole/Thiazole

[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[16188-30-0]
4-Thiazolemethanamine
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[56355-79-4]
Ethyl 2-(2-bromothiazol-4-yl)acetate
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.92478
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.92478
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7