2-(4-Aminophenyl)benzo[d]thiazol-6-ol , CAS No.178804-18-7

CAS: 178804-18-7 Cat. No.: A669099 Molecular Weight: 242.3 PubChem CID: 10444413
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Synonyms
6-OH-BTA-0 | 2-(4-Aminophenyl)benzo[d]thiazol-6-ol | 2-(4-AMINOPHENYL)-1,3-BENZOTHIAZOL-6-OL | EX-A7898A | KYQOWAHXMWGEJG-UHFFFAOYSA-N | BDBM50052710 | AKOS022184255 | 2-(4-Amino-phenyl)-benzothiazol-6-ol | 2-(4'-aminophenyl)-6-hydroxybenzothiazole | 2-(4
Storage
Room temperature
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Size
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Price
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1mg
A669099-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
A669099-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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
6-OH-BTA-0 | 2-(4-Aminophenyl)benzo[d]thiazol-6-ol | 2-(4-AMINOPHENYL)-1, 3-BENZOTHIAZOL-6-OL | EX-A7898A | KYQOWAHXMWGEJG-UHFFFAOYSA-N | BDBM50052710 | AKOS022184255 | 2-(4-Amino-phenyl)-benzothiazol-6-ol | 2-(4'-aminophenyl)-6-hydroxybenzothiazole | 2-(4
Storage
Room temperature
Product Properties
ALogP3.2
Names and Identifiers
Canonical SmilesC1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)O)N
IUPAC Name2-(4-aminophenyl)-1,3-benzothiazol-6-ol
InChIKeyKYQOWAHXMWGEJG-UHFFFAOYSA-N
INCHI1S/C13H10N2OS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H,14H2
Isomeric SMILES C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)O)N
PubChem CID 10444413
Molecular Weight 242.3

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 Aniline and substituted anilines  1-hydroxy-2-unsubstituted benzenoids  Thiazoles  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Azacycle - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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)
APP Tclin Amyloid-beta A4 protein (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SULT2A1 Tbio Alcohol sulfotransferase (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
SULT1E1 Estrogen sulfotransferase (8 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:
Chemical and Physical Properties
Molecular Weight242.300 g/mol
XLogP33.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass242.051 Da
Monoisotopic Mass242.051 Da
Topological Polar Surface Area87.400 Ų
Heavy Atom Count17
Formal Charge0
Complexity268.000
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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