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

CAS: 2314-48-9 Cat. No.: D665448 分子式: (CH₃S)₂CS 分子量: 138.27

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

仕様と純度

≥95%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

508811623

カノニカル・スマイル

CSC(=S)SC

IUPAC Name

bis(methylsulfanyl)methanethione

InChIKey

IQWMXKTYXNMSLC-UHFFFAOYSA-N

INCHI

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

異性体SMILES

CSC(=S)SC

WGKドイツ

3

UN番号

3334

包装グループ

III

分子量

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
    • 分類 Sulfenyl compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: n20/D 1.675(lit.)
• 引火点（°F）: 206.6 °F
• 引火点（°C）: 97 °C
• 沸点（°C）: 101-102° C (lit.) at 12 mmHg
• 融点（°C）: -3℃
• 分子量: 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