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4-(Trifluoromethylthio)phenyl isocyanate - 98%, high purity , CAS No.24032-84-6
Discover 4-(Trifluoromethylthio)phenyl isocyanate by Aladdin Scientific in 98% for only $139.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Trifluoromethylthio)phenyl isocyanate, 98% | 4-trifluoromethylsulfanylphenyl isocyanate | FT-0616956 | 4-(Trifluoromethylthio)phenyl isocyanate | SCHEMBL1020679 | STL556922 | 4-(trifluoromethylthio) phenylisocyanate | 4-(trifluoromethyl)thiophenyl isoc
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Trihalomethanes Isocyanates Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Isocyanate - Trihalomethane - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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
IUPAC Name
1-isocyanato-4-(trifluoromethylsulfanyl)benzene
INCHI
InChI=1S/C8H4F3NOS/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
InChIKey
NYQSIHZNEJCZKX-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1N=C=O)SC(F)(F)F
Isomeric SMILES
C1=CC(=CC=C1N=C=O)SC(F)(F)F
WGK Germany
3
PubChem CID
2733392
Molecular Weight
219.18
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
203 °F
Flash Point(°C)
95 °C
Molecular Weight
219.190 g/mol
XLogP3
4.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
218.997 Da
Monoisotopic Mass
218.997 Da
Topological Polar Surface Area
54.700 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
229.000
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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