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2-(tert-Butylthio)ethanamine , CAS No.22572-38-9

2-(tert-Butylthio)ethanamine , CAS No.22572-38-9

CAS: 22572-38-9 Cat. No.: t168763 Molecular Weight: 133.26 EC Number: 884-362-2 PubChem CID: 2774519

COA

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2-(tert-Butylthio)ethanamine - CAS No(22572-38-9) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

STK825981 | 2-(tert-Butylthio)ethanamine | BB 0254158 | 2-tert-butylsulfanylethylamine | SCHEMBL2351897 | DTXSID90379070 | LS-09256 | AT13945 | MFCD00235190 | EN300-110537 | 2-(TERT-BUTYLTHIO)ETHAN-1-AMINE | 2-tert-butylsulfanylethanamine | SY139273 | AKO

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

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.

📚

Literature proof

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

Specifications

Synonyms

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Canonical Smiles	CC(C)(C)SCCN
IUPAC Name	2-tert-butylsulfanylethanamine
InChIKey	NXALBHIRLFDURB-UHFFFAOYSA-N
INCHI	1S/C6H15NS/c1-6(2,3)8-5-4-7/h4-5,7H2,1-3H3
Isomeric SMILES	CC(C)(C)SCCN
PubChem CID	2774519
Molecular Weight	133.26

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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Dialkylthioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Dialkylthioethers
Intermediate Tree Nodes	Not available
Direct Parent	Dialkylthioethers
Alternative Parents	Sulfenyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkylthioether - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	133.260 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	133.093 Da
Monoisotopic Mass	133.093 Da
Topological Polar Surface Area	51.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	56.000
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

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