S,S′-Dimethyl dithiocarbonate - ≥96% , CAS No.868-84-8

CAS: 868-84-8 Cat. No.: S345880 Summenformel: C₃H₆S₂O Molekulargewicht: 122.21 EG-Nummer: 617-931-9 PubChem CID: 313474

GRADE & PURITY ≥96%

Synonyms

S,S inverted exclamation marka-Dimethyl dithiocarbonate | S,S'-Dimethyl dithiocarbonate | S,S-Dimethyl dithiocarbonate | S,S-dimethyl carbonodithioate | starbld0016678 | Carbonodithioic acid,S-dimethyl ester | EC 617-931-9 | 4H-1-Benzopyran-4-one, 2,3-dih

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

S,S inverted exclamation marka-Dimethyl dithiocarbonate | S,S'-Dimethyl dithiocarbonate | S,S-Dimethyl dithiocarbonate | S,S-dimethyl carbonodithioate | starbld0016678 | Carbonodithioic acid,S-dimethyl ester | EC 617-931-9 | 4H-1-Benzopyran-4-one, 2,3-dih

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Kanonisches Lächeln

CSC(=O)SC

IUPAC Name

bis(methylsulfanyl)methanone

InChIKey

IUXMJLLWUTWQFX-UHFFFAOYSA-N

INCHI

1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3

Isomere SMILES

CSC(=O)SC

PubChem CID

313474

UN-Nummer

3334

Verpackungsgruppe

III

Molekulargewicht

122.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.55
• Flammpunkt (°C): 62 °C
• Siedepunkt (°C): 169℃
• Molekulargewicht: 122.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 121.986 Da
• Monoisotopic Mass: 121.986 Da
• Topological Polar Surface Area: 67.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 868-84-8, the molecular formula is C3H6S2O, and the molecular weight is 122.21 g/mol. InChIKey IUXMJLLWUTWQFX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.