Trithioacetone - ≥98%(GC) , CAS No.828-26-2

CAS: 828-26-2 Cat. No.: H137772 Formula: C₉H₁₈S₃ Peso molecolare: 222.43 Beilstein Registry Number: 19(5)9,119 Numero EC: 212-582-5

GRADE & PURITY ≥98%(GC)

Synonyms

UNII-L0ME5B2ZWY | ?2,2,4,4,6,6-Hexamethyl-S-trithiane | 2,2,4,4,6,6-Hexamethyl-S-trithiane | Hexamethyl-S-trithiane | SCHEMBL2521113 | SY033151 | MFCD00066341 | 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl- | FEMA 3475 | NCGC00256688-01 | W-104159 | Trithioace

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

UNII-L0ME5B2ZWY | ?2,2,4,4,6,6-Hexamethyl-S-trithiane | 2,2,4,4,6,6-Hexamethyl-S-trithiane | Hexamethyl-S-trithiane | SCHEMBL2521113 | SY033151 | MFCD00066341 | 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl- | FEMA 3475 | NCGC00256688-01 | W-104159 | Trithioace

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504752438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752438
• Sorrisi canonici: CC1(SC(SC(S1)(C)C)(C)C)C
• IUPAC Name: 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
• InChIKey: NBNWHQAWKFYFKI-UHFFFAOYSA-N
• INCHI: 1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
• Isomeri SMILES: CC1(SC(SC(S1)(C)C)(C)C)C
• WGK Germania: 2
• RTECS: YL8350000
• Peso molecolare: 222.43
• Beilstein: 19(5)9,119
• Reaxy-Rn: 106323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioacetals
      • Subclass Dithioacetals

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioacetals
• Subclass: Dithioacetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithioketals
• Alternative Parents: Trithianes Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dithioketal - Trithiane - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dithioketals. These are compounds containing a dithioketal functional group with the general structure R2C(SR')2 with R, 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.54(lit.)
• Punto di infiammabilità (°C): 97°C
• Punto di ebollizione (°C): 107°C/10mmHg
• Punto di fusione (°C): 24°C
• Peso molecolare: 222.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 222.057 Da
• Monoisotopic Mass: 222.057 Da
• Topological Polar Surface Area: 75.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 131.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 828-26-2, the molecular formula is C9H18S3, and the molecular weight is 222.43 g/mol. InChIKey NBNWHQAWKFYFKI-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.