Bis(methylthio)(trimethylsilyl)methane - ≥98% , CAS No.37891-79-5

CAS: 37891-79-5 Cat. No.: B152502 Molecular Weight: 180.4 EC Number: 678-055-0

GRADE & PURITY ≥98%

Synonyms

QEPMPXAUMUWNNO-UHFFFAOYSA-N | AKOS006229377 | [bis(methylsulfanyl)methyl]trimethylsilane | bis(methylsulphanyl)trimethylsilylmethane | Bis(methylthio)(trimethylsilyl)methane | SCHEMBL9665484 | DTXSID30451662 | (bis(methylthio)methyl)trimethylsilane | Trim

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

QEPMPXAUMUWNNO-UHFFFAOYSA-N | AKOS006229377 | [bis(methylsulfanyl)methyl]trimethylsilane | bis(methylsulphanyl)trimethylsilylmethane | Bis(methylthio)(trimethylsilyl)methane | SCHEMBL9665484 | DTXSID30451662 | (bis(methylthio)methyl)trimethylsilane | Trim

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197048
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197048
• Canonical Smiles: C[Si](C)(C)C(SC)SC
• IUPAC Name: bis(methylsulfanyl)methyl-trimethylsilane
• InChIKey: QEPMPXAUMUWNNO-UHFFFAOYSA-N
• INCHI: 1S/C6H16S2Si/c1-7-6(8-2)9(3,4)5/h6H,1-5H3
• Isomeric SMILES: C[Si](C)(C)C(SC)SC
• Molecular Weight: 180.4
• Reaxy-Rn: 2203114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2203114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkylsilanes
          • Level6 Trialkylsilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkylsilanes
• Direct Parent: Trialkylsilanes
• Alternative Parents: Sulfenyl compounds Organic metalloid salts Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - Organic metalloid salt - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylsilanes. These are organosilicon compounds containing exactly one alkyl chain attached to the silicon atom.
• 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
• Flash Point(°C): 73 °C
• Molecular Weight: 180.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.046 Da
• Monoisotopic Mass: 180.046 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 73.600
• 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

XLogP3

References

1. Jia Zeng, Xianchao Shang, Peng Zhang, Hongwei Wang, Yanlong Gu, Jia-Neng Tan.  (2019)  Combined Use of Deep Eutectic Solvents, Macroporous Resins, and Preparative Liquid Chromatography for the Isolation and Purification of Flavonoids and 20-Hydroxyecdysone from Chenopodium quinoa Willd.  Biomolecules,  9  (12): (776).  [PMID:31775374] [10.3390/biom9120776]