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2-(tert-Butylthio)ethylamine Hydrochloride - 98%, high purity , CAS No.60116-77-0
Basic Description
Synonyms
CS-0272885 | 2-tert-butylsulfanylethanamine;hydrochloride | 2-(tert-butylthio)ethanamine hydrochloride | 2-(tert-Butylthio)ethylamine hydrochloride | 2-t-Butylthioethylamine hydrochloride | 2-(tert-butylthio)ethanaminehydrochloride | Ethanamine,2-[(1,1-di
Specifications & Purity
≥98%
Storage Temp
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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 Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkylthioether - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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
Data sources
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.
Names and Identifiers
Pubchem Sid
504761956
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761956
IUPAC Name
2-tert-butylsulfanylethanamine;hydrochloride
INCHI
InChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H
InChIKey
YJAKJFWAOKKUJK-UHFFFAOYSA-N
Smiles
CC(C)(C)SCCN.Cl
Isomeric SMILES
CC(C)(C)SCCN.Cl
PubChem CID
2776973
Molecular Weight
169.71
Reaxy-Rn
3667848
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water
Sensitivity
Light Sensitive,Moisture Sensitive,Heat Sensitive
Melt Point(°C)
210 °C
Molecular Weight
169.720 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
169.069 Da
Monoisotopic Mass
169.069 Da
Topological Polar Surface Area
51.300 Ų
Heavy Atom Count
9
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
2
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B2324969