Sulfolane - analytical standard, ≥99.8%(GC) , CAS No.126-33-0

CAS: 126-33-0 Cat. No.: S110939 分子式: C₄H₈O₂S 分子量: 120.17 Beilstein Registry Number: 107765 EC番号: 204-783-1 PubChem CID: 31347

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

Cyclotetramethylene sulfone | F1294-0027 | STL268898 | DTXSID3027037 | Thiophane dioxide | EN300-18394 | WLN: T5SWTJ | (CH2)4SO2 | 1lambda6-thiolane-1,1-dione | Bondelane A; Bondolane A; Cyclic tetramethylene sulfone; Cyclotetramethylene sulfone; NSC 4644

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Cyclotetramethylene sulfone | F1294-0027 | STL268898 | DTXSID3027037 | Thiophane dioxide | EN300-18394 | WLN: T5SWTJ | (CH2)4SO2 | 1lambda6-thiolane-1,1-dione | Bondelane A; Bondolane A; Cyclic tetramethylene sulfone; Cyclotetramethylene sulfone; NSC 4644

仕様と純度

analytical standard, ≥99.8%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99.8%(GC)

名前と識別子

パブケム・シド

528773229

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528773229

カノニカル・スマイル

C1CCS(=O)(=O)C1

IUPAC Name

thiolane 1,1-dioxide

InChIKey

HXJUTPCZVOIRIF-UHFFFAOYSA-N

INCHI

1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

異性体SMILES

C1CCS(=O)(=O)C1

WGKドイツ

1

RTECS

XN0700000

PubChem CID

31347

UN番号

3334

分子量

120.17

Beilstein

107765

Reaxy-Rn

107765

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Thiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Thiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiolanes
• Alternative Parents: Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiolane - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom.
• External Descriptors: a small molecule

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

• 融点（°C）: 25 °C
• 屈折率: 1.484
• 引火点（°F）: 330 °F
• 引火点（°C）: 166°C
• 沸点（°C）: 285°C
• 融点（°C）: 20-26°C
• 分子量: 120.170 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 128.000
• 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