2-Amino-6-(trifluoromethyl)benzothiazole - ≥98%(HPLC) , CAS No.777-12-8

CAS: 777-12-8 Cat. No.: A151170 Molecular Weight: 218.2 EC Number: 625-369-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
AM20041167 | 2-Amino-6-(trifluoromethyl)benzothiazole, 96% | S0E | 2-Amino-6-(trifluoromethyl)benzothiazole | STK946229 | SY025528 | 2-Amino-6-(trifluoromethyl)-1,3-benzothiazol | 2-amino-6-trifluoromethylbenzothiazole | Q27465194 | 6-(trifluoromethyl)-1,
Storage
Room temperature
Shipped In
Normal
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Price
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1g
A151170-1g
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5g
A151170-5g
5

$51.90

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25g
A151170-25g
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AM20041167 | 2-Amino-6-(trifluoromethyl)benzothiazole, 96% | S0E | 2-Amino-6-(trifluoromethyl)benzothiazole | STK946229 | SY025528 | 2-Amino-6-(trifluoromethyl)-1, 3-benzothiazol | 2-amino-6-trifluoromethylbenzothiazole | Q27465194 | 6-(trifluoromethyl)-1,
Specifications & Purity
≥98%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(HPLC)
Names and Identifiers
Pubchem Sid504761285
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504761285
Canonical SmilesC1=CC2=C(C=C1C(F)(F)F)SC(=N2)N
IUPAC Name6-(trifluoromethyl)-1,3-benzothiazol-2-amine
InChIKeyWEDYEBJLWMPPOK-UHFFFAOYSA-N
INCHI1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
Isomeric SMILES C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N
WGK Germany 3
Molecular Weight 218.2
Reaxy-Rn 187930
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=187930&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Benzenoids  2-amino-1,3-thiazoles  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EPHX2 Tchem Epoxide hydratase (3844 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pichia kudriavzevii (7448 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida parapsilosis (8521 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida tropicalis (8381 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
L1911233Certificate of AnalysisSep 11, 2023 A151170
E2316889Certificate of AnalysisMay 24, 2023 A151170
E2316890Certificate of AnalysisMay 24, 2023 A151170
Chemical and Physical Properties
SolubilitySoluble in Methanol
Melt Point(°C)115-124°C
Molecular Weight218.200 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass218.013 Da
Monoisotopic Mass218.013 Da
Topological Polar Surface Area67.200 Ų
Heavy Atom Count14
Formal Charge0
Complexity221.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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