Dimethyl trithiocarbonate - ≥95% , CAS No.2314-48-9

CAS: 2314-48-9 Cat. No.: D665448 Fórmula: (CH₃S)₂CS Peso molecular: 138.27

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508811623

Sorrisos canónicos

CSC(=S)SC

IUPAC Name

bis(methylsulfanyl)methanethione

InChIKey

IQWMXKTYXNMSLC-UHFFFAOYSA-N

INCHI

1S/C3H6S3/c1-5-3(4)6-2/h1-2H3

SMILES isoméricas

CSC(=S)SC

WGK Alemanha

3

Número UN

3334

Grupo de embalagem

III

Peso molecular

138.27

Reaxy-Rn

1421113

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421113&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfenyl compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Sulfenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfenyl compounds
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.675(lit.)
• Ponto de inflamação (°F): 206.6 °F
• Ponto de inflamação (°C): 97 °C
• Ponto de ebulição (°C): 101-102° C (lit.) at 12 mmHg
• Ponto de fusão (°C): -3℃
• Peso molecular: 138.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.963 Da
• Monoisotopic Mass: 137.963 Da
• Topological Polar Surface Area: 82.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.000
• 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