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Product No: BR3960

5-bromo-1,3-benzothiazol-2-amine, 95%

Name: 5-bromo-1,3-benzothiazol-2-amine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

20358-03-6

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About this item

IUPAC name	5-bromo-1,3-benzothiazol-2-amine
canonical smiles	C1=CC2=C(C=C1Br)N=C(S2)N
inchi	InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
inchi key	ZPUJTWBWSOOMRP-UHFFFAOYSA-N
molecular formula	C7H5BrN2S
synonyms	2-Amino-5-bromobenzothiazole 20358-03-6 5-bromo-1,3-benzothiazol-2-amine 5-bromobenzo[d]thiazol-2-amine 2-BENZOTHIAZOLAMINE, 5-BROMO-

Computed Properties

Molecular Weight:	229.10 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	227.93568 g/mol
Monoisotopic Mass:	227.93568 g/mol
Topological Polar Surface Area:	67.2 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	155
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Zoxazolamine

Tioxolone

2-Aminoquinoline

2-Aminobenzothiazole

2-Amino-6-methoxybenzothiazole

2-Amino-4-chlorobenzothiazole

4-Allylphenol

2,6-Benzothiazolediamine

2-Amino-6-methylbenzothiazole

1H-Benzimidazol-2-amine, 5-chloro-

2-Methyl-1,2,3,4-tetrahydroisoquinoline

2-Amino-4-methylbenzothiazole

2-Hydrazinobenzothiazole

2-Bromonaphthalene

2-Amino-6-chlorobenzothiazole

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (97.44%) Skin Sens. 1 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	5-bromo-1,3-benzothiazol-2-amine
canonical smiles	C1=CC2=C(C=C1Br)N=C(S2)N
inchi	InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
inchi key	ZPUJTWBWSOOMRP-UHFFFAOYSA-N
molecular formula	C7H5BrN2S
synonyms	2-Amino-5-bromobenzothiazole 20358-03-6 5-bromo-1,3-benzothiazol-2-amine 5-bromobenzo[d]thiazol-2-amine 2-BENZOTHIAZOLAMINE, 5-BROMO-

Computed Properties

Molecular Weight:	229.10 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	227.93568 g/mol
Monoisotopic Mass:	227.93568 g/mol
Topological Polar Surface Area:	67.2 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	155
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Zoxazolamine

Tioxolone

2-Aminoquinoline

2-Aminobenzothiazole

2-Amino-6-methoxybenzothiazole

2-Amino-4-chlorobenzothiazole

4-Allylphenol

2,6-Benzothiazolediamine

2-Amino-6-methylbenzothiazole

1H-Benzimidazol-2-amine, 5-chloro-

2-Methyl-1,2,3,4-tetrahydroisoquinoline

2-Amino-4-methylbenzothiazole

2-Hydrazinobenzothiazole

2-Bromonaphthalene

2-Amino-6-chlorobenzothiazole

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (97.44%) Skin Sens. 1 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BR3960

5-bromo-1,3-benzothiazol-2-amine, 95%

Product No: BR3960

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BR3960

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?