2-(Benzo[d]thiazol-2-ylthio)ethanamine , CAS No.60372-30-7

CAS: 60372-30-7 Cat. No.: B668275 Molecular Weight: 210.3 PubChem CID: 419706
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Synonyms
2-(1,3-benzothiazol-2-ylthio)ethylamine | NSC117369 | Ethanamine, 2-(2-benzothiazolylthio)- (9CI) | NSC-117369 | 2-(benzo[d]thiazol-2-ylthio)ethanamine | NCIStruc1_001932 | NCIStruc2_000729 | Oprea1_107268 | Oprea1_707096 | CCG-37966 | NCGC00014183 | NCI1
Storage
Room temperature
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Price
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1mg
B668275-1mg
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$571.90

$999.90
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5mg
B668275-5mg
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$1,999.90

$2,999.90
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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
2-(1, 3-benzothiazol-2-ylthio)ethylamine | NSC117369 | Ethanamine, 2-(2-benzothiazolylthio)- (9CI) | NSC-117369 | 2-(benzo[d]thiazol-2-ylthio)ethanamine | NCIStruc1_001932 | NCIStruc2_000729 | Oprea1_107268 | Oprea1_707096 | CCG-37966 | NCGC00014183 | NCI1
Storage
Room temperature
Product Properties
ALogP1.4
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)N=C(S2)SCCN
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)ethanamine
InChIKeyHAEMSEOXEUXNRR-UHFFFAOYSA-N
INCHI1S/C9H10N2S2/c10-5-6-12-9-11-7-3-1-2-4-8(7)13-9/h1-4H,5-6,10H2
Isomeric SMILES C1=CC=C2C(=C1)N=C(S2)SCCN
PubChem CID 419706
Molecular Weight 210.3

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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Alkylarylthioethers  Benzenoids  Thiazoles  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Aryl thioether - Alkylarylthioether - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Organic nitrogen compound - 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)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
STAT6 Tchem Signal transducer and activator of transcription 6 (445 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 Weight210.300 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass210.029 Da
Monoisotopic Mass210.029 Da
Topological Polar Surface Area92.500 Ų
Heavy Atom Count13
Formal Charge0
Complexity166.000
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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