(Phenylthiomethyl)trimethylsilane - ≥98%(GC) , CAS No.17873-08-4

CAS: 17873-08-4 Cat. No.: P160550 Molecular Weight: 196.38 EC Number: 626-680-4 PubChem CID: 140295

GRADE & PURITY ≥98%(GC)

Synonyms

trimethyl(phenylsulfanylmethyl)silane | trimethyl-(phenylsulfanylmethyl)silane | DTXSID20170532 | (Phenylthiomethyl)trimethylsilane | Phenyl Trimethylsilylmethyl Sulfide | Trimethyl(phenylthiomethyl)silane, 99% | J-011397 | phenylthiomethyltrimethylsilane

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

trimethyl(phenylsulfanylmethyl)silane | trimethyl-(phenylsulfanylmethyl)silane | DTXSID20170532 | (Phenylthiomethyl)trimethylsilane | Phenyl Trimethylsilylmethyl Sulfide | Trimethyl(phenylthiomethyl)silane, 99% | J-011397 | phenylthiomethyltrimethylsilane

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CSC1=CC=CC=C1
• IUPAC Name: trimethyl(phenylsulfanylmethyl)silane
• InChIKey: UOQDIMYVQSHALM-UHFFFAOYSA-N
• INCHI: 1S/C10H16SSi/c1-12(2,3)9-11-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)CSC1=CC=CC=C1
• WGK Germany: 3
• PubChem CID: 140295
• Molecular Weight: 196.38
• Reaxy-Rn: 1932375

Taxonomic Classification

Taxonomy Tree

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

• 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 Sulfenyl compounds Organic metalloid salts Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Organic metalloid salt - Sulfenyl compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.54
• Flash Point(°F): 102.2 °F
• Flash Point(°C): 39°C
• Boil Point(°C): 158°C/51.8mmHg
• Molecular Weight: 196.390 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 122.000
• 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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