Trimethylene Sulfide - ≥98%(GC) , CAS No.287-27-4

CAS: 287-27-4 Cat. No.: T162103 Summenformel: C₃H₆S Molekulargewicht: 74.14 Beilstein Registry Number: 102383 EG-Nummer: 206-015-0 PubChem CID: 9251

GRADE & PURITY ≥98%(GC)

Synonyms

THIACYCLOBUTANE | Trimethylene sulfide | Q127300 | NSC56443 | NSC-56443 | CHEBI:87565 | AKOS015840983 | Thietane | 1O7C19QQDB | Propane, 1,3-epithio- | InChI=1/C3H6S/c1-2-4-3-1/h1-3H | NSC 56443 | J-017221 | Trimethylene sulfide, >=96.0% (GC) | UNII-1O7C1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

THIACYCLOBUTANE | Trimethylene sulfide | Q127300 | NSC56443 | NSC-56443 | CHEBI:87565 | AKOS015840983 | Thietane | 1O7C19QQDB | Propane, 1,3-epithio- | InChI=1/C3H6S/c1-2-4-3-1/h1-3H | NSC 56443 | J-017221 | Trimethylene sulfide, >=96.0% (GC) | UNII-1O7C1

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504751807
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751807
• Kanonisches Lächeln: C1CSC1
• IUPAC Name: thietane
• InChIKey: XSROQCDVUIHRSI-UHFFFAOYSA-N
• INCHI: 1S/C3H6S/c1-2-4-3-1/h1-3H2
• Isomere SMILES: C1CSC1
• WGK Deutschland: 3
• PubChem CID: 9251
• Molekulargewicht: 74.14
• Beilstein: 102383
• Reaxy-Rn: 102383

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thietanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thietanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thietanes
• Alternative Parents: Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thietane - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thietanes. These are heterocyclic compounds containing a saturated four-member ring with three carbon atoms and one sulfur atom.
• External Descriptors: organosulfur heterocyclic compound

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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.51
• Flammpunkt (°F): -4 °F
• Flammpunkt (°C): -2°C(lit.)
• Siedepunkt (°C): 94°C
• Molekulargewicht: 74.150 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 74.019 Da
• Monoisotopic Mass: 74.019 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• 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, 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 287-27-4, the molecular formula is C3H6S, and the molecular weight is 74.14 g/mol. InChIKey XSROQCDVUIHRSI-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.