Bis(trimethylsilyl) Sulfide - ≥95% , CAS No.3385-94-2

CAS: 3385-94-2 Cat. No.: B757571 Molecular Weight: 178.44 EC Number: 222-201-4

GRADE & PURITY ≥95%

Synonyms

1,1,1,3,3,3-Hexamethyldisilathiane | Thiobis(trimethylsilane) | Hexamethyldisilathiane | (TMS)2S, HMDS, NSC 252160

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 1, 1, 3, 3, 3-Hexamethyldisilathiane | Thiobis(trimethylsilane) | Hexamethyldisilathiane | (TMS)2S, HMDS, NSC 252160

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)S[Si](C)(C)C
• IUPAC Name: trimethyl(trimethylsilylsulfanyl)silane
• InChIKey: RLECCBFNWDXKPK-UHFFFAOYSA-N
• INCHI: 1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
• Isomeric SMILES: C[Si](C)(C)S[Si](C)(C)C
• WGK Germany: 3
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 178.44
• Reaxy-Rn: 1698358
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698358&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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

• Solubility: Miscible with terahydrofuran and toluene.
• Sensitivity: Moisture sensitive；Air sensitive
• Refractive Index: 1.4586
• Flash Point(°F): 73.4 °F
• Flash Point(°C): 23 °C
• Boil Point(°C): 164 °C
• Molecular Weight: 178.440 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.067 Da
• Monoisotopic Mass: 178.067 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 76.200
• 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

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