6-Amino-2-bromobenzothiazole - CAS 945400-80-6

Catalog:	BB041412
Product Name:	6-Amino-2-bromobenzothiazole
CAS:	945400-80-6
Synonyms:	2-bromo-1,3-benzothiazol-6-amine; 2-bromo-1,3-benzothiazol-6-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-1,3-benzothiazol-6-amine
Description:	6-Amino-2-bromobenzothiazole (CAS# 945400-80-6) is a useful research chemical.
Molecular Weight:	229.10
Molecular Formula:	C7H5BrN2S
Canonical SMILES:	C1=CC2=C(C=C1N)SC(=N2)Br
InChI:	InChI=1S/C7H5BrN2S/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,9H2
InChI Key:	PKRUNKROSSHAGG-UHFFFAOYSA-N
Boiling Point:	384.075 °C at 760 mmHg
Density:	1.837 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD11977496
LogP:	3.22220

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
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219
KR-102128509-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Related Functional Groups

Benzoxazole/Benzothiazole

[101253-50-3]
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[180716-28-3]
Benzo[d]oxazol-5-ol
[1488698-24-3]
Benzo[d]oxazol-5-ylmethanol
[1494550-29-6]
Benzo[d]oxazol-6-ylmethanol
[94242-04-3]
Benzo[d]oxazol-7-ol
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.93568
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.93568
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6