3-(Methylthio)aniline - ≥97% , CAS No.1783-81-9

CAS: 1783-81-9 Cat. No.: M101834 Formula: C₇H₉NS Peso molecolare: 139.22 Beilstein Registry Number: 2078599 Numero EC: 217-232-5

QUALITÀ & PUREZZA ≥97%

Synonyms

3-(Methylmercapto)aniline | NSC66274 | NSC-66274 | 3-Methylthiobenzenamine | 3-Methylmercaptoaniline | 1-Amino-3-methylthiobenzene | M1673 | 3-(Methylsulfanyl)phenylamine | 3-(Methylthio)aniline | SY001852 | 3-methylthioaniline | 3-Methylthio-aniline | BR

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

3-(Methylmercapto)aniline | NSC66274 | NSC-66274 | 3-Methylthiobenzenamine | 3-Methylmercaptoaniline | 1-Amino-3-methylthiobenzene | M1673 | 3-(Methylsulfanyl)phenylamine | 3-(Methylthio)aniline | SY001852 | 3-methylthioaniline | 3-Methylthio-aniline | BR

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

508808881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808881

Sorrisi canonici

CSC1=CC=CC(=C1)N

IUPAC Name

3-methylsulfanylaniline

InChIKey

KCHLDNLIJVSRPK-UHFFFAOYSA-N

INCHI

1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3

Isomeri SMILES

CSC1=CC=CC(=C1)N

WGK Germania

3

RTECS

BY6301000

Numero UN

2810

Peso molecolare

139.22

Beilstein

2078599

Reaxy-Rn

2078599

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078599&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Sulfenyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: air sensitive;light sensitive;heat sensitive
• Indice di rifrazione: 1.637
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): > 110°C
• Punto di ebollizione (°C): 163-165°C/16mmHg
• Peso molecolare: 139.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.046 Da
• Monoisotopic Mass: 139.046 Da
• Topological Polar Surface Area: 51.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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