4-Methylbenzenethioamide - ≥97% , CAS No.2362-62-1

CAS: 2362-62-1 Cat. No.: M140148 分子式: C₈H₉NS 分子量: 151.23 EC番号: 674-733-5

GRADE & PURITY ≥97%

Synonyms

4-Methylbenzenethioamide, 96% | 4-Methylbenzenecarbothioamide # | H10917 | Benzenecarbothioamide,4-methyl- | 4-Methylbenzenecarbothioamide | 4-methylbenzothioamide | A816812 | p-Methylthiobenzamide | FS-1641 | p-Methylthiobenzoylamide | 4-methylbenzene-1-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

4-Methylbenzenethioamide, 96% | 4-Methylbenzenecarbothioamide # | H10917 | Benzenecarbothioamide,4-methyl- | 4-Methylbenzenecarbothioamide | 4-methylbenzothioamide | A816812 | p-Methylthiobenzamide | FS-1641 | p-Methylthiobenzoylamide | 4-methylbenzene-1-

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488191392

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191392

カノニカル・スマイル

CC1=CC=C(C=C1)C(=S)N

IUPAC Name

4-methylbenzenecarbothioamide

InChIKey

QXYZSNGZMDVLKN-UHFFFAOYSA-N

INCHI

1S/C8H9NS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)

異性体SMILES

CC1=CC=C(C=C1)C(=S)N

WGKドイツ

3

分子量

151.23

Reaxy-Rn

1071973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 170-174°C
• 分子量: 151.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.046 Da
• Monoisotopic Mass: 151.046 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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