1,3,5-Tritiano - ≥97% , CAS No.291-21-4

CAS: 291-21-4 Cat. No.: T162310 Formula: C₃H₆S₃ Peso molecolare: 138.26 Beilstein Registry Number: 79834 Numero EC: 206-029-7 PubChem CID: 9264

GRADE & PURITY ≥97%

Synonyms

4AM764YC6X | Trimethylene trisulfide | Thioformaldehyde trimer | Thioform | 1,3,5-trithian | Formaldehyde, thio-, trimer | sym-Trithiane | s-Trithiane | Trithioformaldehyde | 1,3,5-TRITHIANE | Trimethylentrisulfid | NSC 1937 | sym-Trithian | 1,3,5-Trithia

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

4AM764YC6X | Trimethylene trisulfide | Thioformaldehyde trimer | Thioform | 1,3,5-trithian | Formaldehyde, thio-, trimer | sym-Trithiane | s-Trithiane | Trithioformaldehyde | 1,3,5-TRITHIANE | Trimethylentrisulfid | NSC 1937 | sym-Trithian | 1,3,5-Trithia

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504751813

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751813

Sorrisi canonici

C1SCSCS1

IUPAC Name

1,3,5-trithiane

InChIKey

LORRLQMLLQLPSJ-UHFFFAOYSA-N

INCHI

1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2

Isomeri SMILES

C1SCSCS1

WGK Germania

3

RTECS

YL8225000

PubChem CID

9264

Peso molecolare

138.26

Beilstein

79834

Reaxy-Rn

79834

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Trithianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Trithianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Trithianes
• Alternative Parents: Dithioacetals Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Trithiane - Thioacetal - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as trithianes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and three carbon atoms.
• External Descriptors: trithiane

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

• Punto di fusione (°C): 216 °C
• Peso molecolare: 138.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 137.963 Da
• Monoisotopic Mass: 137.963 Da
• Topological Polar Surface Area: 75.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 21.500
• 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?

This product is supplied at ≥97% 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 291-21-4, the molecular formula is C3H6S3, and the molecular weight is 138.26 g/mol. InChIKey LORRLQMLLQLPSJ-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.