Dimethyl Trisulfide - ≥98% , CAS No.3658-80-8

CAS: 3658-80-8 Cat. No.: D103087 Molecular Weight: 126.26 Beilstein Registry Number: 1731604 EC Number: 222-910-9 PubChem CID: 19310

GRADE & PURITY ≥98%

Synonyms

InChI=1/C2H6S3/c1-3-5-4-2/h1-2H | MFCD00039808 | trisulfane, dimethyl- | A823301 | Dimethyl trisulfide, >=98%, FG | NSC97324 | NSC-97324 | Trisulfide, dimethyl | AKOS015897465 | FT-0667568 | CHEBI:4614 | DMTS | Methyl trisulfide | NSC 97324 | C08372 | FLA

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Dimethyl trisulfide (DMTS), a volatile sulfur compound (VSC), is a major aroma consituent in cooked Brassicaceous vegetables. Dimethyl trisulfide formation is reported during beer aging. It has been reported to be responsible for common malodour from fungating cancer samples. It is an important taste and odor (T&O)-causing compound in China, mainly associated with the septic/swampy odor. It has been identified as a common odor-producing compound by Microcystis (on its decay). Granular activated carbon (GAC) adsorption of dimethyl trisulfide, an algal odorant, has been reported.

Dimethyl trisulfide is reported as a major aroma component in cooked Brassicaceous vegetables. Trap baits containing dimethyl trisulfide have been used to capture Calliphora loewi and other blowflies. Dimethyl trisulfide along with dimethyl sulfide and dimethyl disulfide have been confirmed as volatile compounds given off by the fly-attracting plant known as dead-horse arum (Helicodiceros muscivorus). These flies are attracted to the odor of fetid meat and help pollinate this plant.

Specifications

Synonyms

InChI=1/C2H6S3/c1-3-5-4-2/h1-2H | MFCD00039808 | trisulfane, dimethyl- | A823301 | Dimethyl trisulfide, >=98%, FG | NSC97324 | NSC-97324 | Trisulfide, dimethyl | AKOS015897465 | FT-0667568 | CHEBI:4614 | DMTS | Methyl trisulfide | NSC 97324 | C08372 | FLA

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752933
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752933
• Canonical Smiles: CSSSC
• IUPAC Name: (methyltrisulfanyl)methane
• InChIKey: YWHLKYXPLRWGSE-UHFFFAOYSA-N
• INCHI: 1S/C2H6S3/c1-3-5-4-2/h1-2H3
• Isomeric SMILES: CSSSC
• WGK Germany: 3
• PubChem CID: 19310
• UN Number: 1993
• Molecular Weight: 126.26
• Beilstein: 1731604

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Organic trisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Organic trisulfides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic trisulfides
• Alternative Parents: Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic trisulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic trisulfides. These are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl).
• External Descriptors: organic trisulfide

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: Insoluble in water.
• Sensitivity: air sensitive
• Refractive Index: 1.602
• Flash Point(°C): 56°C
• Boil Point(°C): 58°C or 165-175℃
• Melt Point(°C): -68°C
• Molecular Weight: 126.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 125.963 Da
• Monoisotopic Mass: 125.963 Da
• Topological Polar Surface Area: 75.900 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• 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

References

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