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Thiomichler's ketone - Analytical Reagent, high purity , CAS No.1226-46-6
Basic Description
Synonyms
1226-46-6 | 4,4'-Bis(dimethylamino)thiobenzophenone | Michler's thione | Methanethione, bis[4-(dimethylamino)phenyl]- | Michler's thioketone | Bis[4-(dimethylamino)phenyl]methanethione | p,p'-Bis(dimethylamino)thiobenzophenone | Thiomichler's Ketone | Thio-michler's keto
Specifications & Purity
AR
Shipped In
Normal
Grade
AR
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Thioketones Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylmethane - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Thioketone - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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
488184639
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184639
IUPAC Name
bis[4-(dimethylamino)phenyl]methanethione
INCHI
InChI=1S/C17H20N2S/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
InChIKey
KFUJUTFTRXYQMG-UHFFFAOYSA-N
Smiles
CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C
Isomeric SMILES
CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C
WGK Germany
3
PubChem CID
71045
Molecular Weight
284.42
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
202°C
Molecular Weight
284.400 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
284.135 Da
Monoisotopic Mass
284.135 Da
Topological Polar Surface Area
38.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
281.000
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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K2321486