6-Aminobenzothiazole - CAS 533-30-2

Catalog:	BB028147
Product Name:	6-Aminobenzothiazole
CAS:	533-30-2
Synonyms:	1,3-benzothiazol-6-amine

Technical Data

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Computed Properties

IUPAC Name:	1,3-benzothiazol-6-amine
Description:	6-Aminobenzothiazole (CAS# 533-30-2) is a useful intermediate in synthesizing N-phenyl-substituted and di-substituted guanidinyl benzothiazole derivatives. These derivatives act as antimicrobial and antioxidant agents.
Molecular Weight:	150.20
Molecular Formula:	C7H6N2S
Canonical SMILES:	C1=CC2=C(C=C1N)SC=N2
InChI:	InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
InChI Key:	FAYAYUOZWYJNBD-UHFFFAOYSA-N
Boiling Point:	323.1 ℃ at 760 mmHg
Melting Point:	89-90 ℃
Purity:	95 %
Density:	1.383 g/cm³
Appearance:	Orange solid
MDL:	MFCD00015461
LogP:	2.45970

Publication Number	Title	Priority Date
CN-112778125-A	Aryl phenol compound and synthesis method and application thereof	20210201
CN-111704714-A	Benzo five-membered and six-membered ring (thio) urea catalyst and application thereof in ring-opening polymerization	20200701
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-2021164746-A1	Substituted aryl compound	20200219

PMID	Publication Date	Title	Journal
20945080	20110301	Unusual excited state characteristics of 6-aminobenzothiazole with β-cyclodextrin	Journal of fluorescence
15276301	20040801	Synthesis and antileishmanial activity of (1,3-benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives	European journal of medicinal chemistry

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2,5,7-Trichlorobenzoxazole
[139549-26-1]
2-(Chloromethyl)-7-methylbenzoxazole

Oxazole/Thiazole

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2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate
[132089-38-4]
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate
[6721-80-8]
Ethyl 2-(allylamino)-4-methylthiazole-5-carboxylate
[937598-26-0]
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[886497-64-9]
Ethyl 2-(butylamino)-4-methylthiazole-5-carboxylate

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.02516937
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3