Dimethyl trithiocarbonate - ≥95% , CAS No.2314-48-9

CAS: 2314-48-9 Cat. No.: D665448 Molecular Weight: 138.27

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: CSC(=S)SC
• IUPAC Name: bis(methylsulfanyl)methanethione
• InChIKey: IQWMXKTYXNMSLC-UHFFFAOYSA-N
• INCHI: 1S/C3H6S3/c1-5-3(4)6-2/h1-2H3
• Isomeric SMILES: CSC(=S)SC
• WGK Germany: 3
• UN Number: 3334
• Packing Group: III
• Molecular Weight: 138.27
• Reaxy-Rn: 1421113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421113&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfenyl compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfenyl compounds
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl).
• 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

• Refractive Index: n20/D 1.675(lit.)
• Flash Point(°F): 206.6 °F
• Flash Point(°C): 97 °C
• Boil Point(°C): 101-102° C (lit.) at 12 mmHg
• Melt Point(°C): -3℃
• Molecular Weight: 138.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.963 Da
• Monoisotopic Mass: 137.963 Da
• Topological Polar Surface Area: 82.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.000
• 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