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2-(Furfurylthio)ethylamine - 98%, high purity , CAS No.36415-21-1
Basic Description
Synonyms
2-{[(furan-2-yl)methyl]sulfanyl}ethan-1-amine | FT-0608809 | EINECS 253-024-0 | 2-(Furan-2-ylmethylsulfanyl)-ethylamine | 2-[(2furyl)methylthio]ethylamine | SCHEMBL705421 | AKOS000302890 | EU-0099977 | SB61136 | 2-(Furfurylthio)ethylamine | AS-62718 | F03
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Heteroaromatic compounds
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Heteroaromatic compounds
Alternative Parents
Furans Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furan - Heteroaromatic compound - Thioether - Sulfenyl compound - Dialkylthioether - Oxacycle - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
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
488187599
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187599
IUPAC Name
2-(furan-2-ylmethylsulfanyl)ethanamine
INCHI
InChI=1S/C7H11NOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,3,5-6,8H2
InChIKey
VSPDYEHKAMKDNW-UHFFFAOYSA-N
Smiles
C1=COC(=C1)CSCCN
Isomeric SMILES
C1=COC(=C1)CSCCN
Molecular Weight
157.23
Beilstein
17(5)3,355
Reaxy-Rn
3602502
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602502&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.55
Boil Point(°C)
100°C/1mmHg
Molecular Weight
157.240 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
157.056 Da
Monoisotopic Mass
157.056 Da
Topological Polar Surface Area
64.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
89.700
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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G2315640