1,1-Bis(methylthio)ethylene - ≥90%(GC) , CAS No.51102-74-0

CAS: 51102-74-0 Cat. No.: B152500 Molecular Weight: 120.23

GRADE & PURITY ≥90%(GC)

Synonyms

SCHEMBL1004669 | MFCD00191617 | 1,1-(Dimethylthio)ethene | DTXSID70199112 | 1,1-Bis(methylthio)ethylene | 1,1-bis-(Methylthio)ethylene | T70983 | AS-81191 | 1,1-bis(methylsulfanyl)ethene | 1,1-bis(methylsulfanyl)-ethene | CH2=C(SCH3)2 | AKOS015852509 | et

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL1004669 | MFCD00191617 | 1, 1-(Dimethylthio)ethene | DTXSID70199112 | 1, 1-Bis(methylthio)ethylene | 1, 1-bis-(Methylthio)ethylene | T70983 | AS-81191 | 1, 1-bis(methylsulfanyl)ethene | 1, 1-bis(methylsulfanyl)-ethene | CH2=C(SCH3)2 | AKOS015852509 | et

Specifications & Purity

≥90%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥90%(GC)

Names and Identifiers

• Canonical Smiles: CSC(=C)SC
• IUPAC Name: 1,1-bis(methylsulfanyl)ethene
• InChIKey: GGCGAESAURTGKY-UHFFFAOYSA-N
• INCHI: 1S/C4H8S2/c1-4(5-2)6-3/h1H2,2-3H3
• Isomeric SMILES: CSC(=C)SC
• Molecular Weight: 120.23
• Reaxy-Rn: 1737690
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737690&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ketene acetals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ketene acetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketene acetals
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketene acetal or derivatives - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketene acetals. These are organic compounds comprising the ketene acetal functional group, with the general structure XC(Y)=C(R3)R4 (R1,R2=H, alkyl, aryl; X,Y=any hetero 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: Heat Sensitive
• Refractive Index: 1.56
• Flash Point(°C): 70 °C
• Boil Point(°C): 110°C/85mmHg(lit.)
• Molecular Weight: 120.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 120.007 Da
• Monoisotopic Mass: 120.007 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.500
• 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