2-Amino-6-methoxybenzothiazole - ≥98% , CAS No.1747-60-0

Name: 2-Amino-6-methoxybenzothiazole - ≥98% , CAS No.1747-60-0
Brand: Aladdin Scientific
SKU: A151205
Availability: InStock

CAS: 1747-60-0 Cat. No.: A151205 Molecular Weight: 180.23 Beilstein Registry Number: 27(2)334 EC Number: 217-130-0

1 Citations COA

Skip to the end of the images gallery

2-Amino-6-methoxybenzothiazole - ≥98% CAS No(1747-60-0) by Aladdin Scientific

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

4up5 | 6-methoxybenzo[d]thiazol-2-amine | AE-641/00784022 | 6-(methyloxy)-1,3-benzothiazol-2-amine | AM20030163 | BIDD:GT0056 | PD145344 | DTXSID9024485 | F1911-0014 | InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10 | DTXCID604485 | SC

Storage

Room temperature

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

🧪

Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2-Amino-6-methoxybenzothiazole undergoes Sandmeyer reaction on heating with isoamyl nitrite and CuBr2 to yield 2-bromo-6-methoxybenzothiazole.
2-Amino-6-methoxybenzothiazole was used as building block in the syntheses of novel series of Schiff bases and 4-thiazolidinones. It was used in the synthesis of 2-cyano-6-methoxybenzothiazole, key intermediate for the synthesis of firefly luciferin.

Specifications

Synonyms

4up5 | 6-methoxybenzo[d]thiazol-2-amine | AE-641/00784022 | 6-(methyloxy)-1, 3-benzothiazol-2-amine | AM20030163 | BIDD:GT0056 | PD145344 | DTXSID9024485 | F1911-0014 | InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H, 1H3, (H2, 9, 10 | DTXCID604485 | SC

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid	488182155
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182155
Canonical Smiles	COC1=CC2=C(C=C1)N=C(S2)N
IUPAC Name	6-methoxy-1,3-benzothiazol-2-amine
InChIKey	KZHGPDSVHSDCMX-UHFFFAOYSA-N
INCHI	1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
Isomeric SMILES	COC1=CC2=C(C=C1)N=C(S2)N
WGK Germany	3
RTECS	DL2100000
Molecular Weight	180.23
Beilstein	27(2)334
Reaxy-Rn	131202
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131202&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Anisoles Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Anisole - Alkyl aryl ether - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THP-1 (11052 Activities)

Lot Number	Certificate Type	Date	Item
F2008077	Certificate of Analysis	Mar 05, 2024	A151205
K2222272	Certificate of Analysis	Jun 11, 2022	A151205
K2222273	Certificate of Analysis	Jun 11, 2022	A151205
K2222296	Certificate of Analysis	Jun 11, 2022	A151205
K2222332	Certificate of Analysis	Jun 11, 2022	A151205
A2316022	Certificate of Analysis	Jun 05, 2021	A151205
F2103097	Certificate of Analysis	Jun 05, 2021	A151205

Solubility	Very slightly soluble in Methanol
Melt Point(°C)	165-167 °C
Molecular Weight	180.230 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	180.036 Da
Monoisotopic Mass	180.036 Da
Topological Polar Surface Area	76.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1