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(R)-(-)-1-(1-Naphthyl)ethyl isothiocyanate - ≧95%, high purity , CAS No.138617-82-0
Basic Description
Synonyms
(R)-(-)-1-(1-Naphthyl)ethyl isothiocyanate | 138617-82-0 | 1-[(1R)-1-ISOTHIOCYANATOETHYL]NAPHTHALENE | Naphthalene, 1-[(1R)-1-isothiocyanatoethyl]- | SCHEMBL3886974 | DTXSID10426818 | MFCD04039332 | (R)-1-(1-Naphthyl)ethyl isothiocyanate | BP-12879
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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
504764554
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764554
IUPAC Name
1-[(1R)-1-isothiocyanatoethyl]naphthalene
INCHI
InChI=1S/C13H11NS/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m1/s1
InChIKey
PGJWLIIUEIYCSF-SNVBAGLBSA-N
Smiles
CC(C1=CC=CC2=CC=CC=C21)N=C=S
Isomeric SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)N=C=S
Molecular Weight
213.3
Reaxy-Rn
8481207
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8481207&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.300 g/mol
XLogP3
5.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
213.061 Da
Monoisotopic Mass
213.061 Da
Topological Polar Surface Area
44.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
257.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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