Dithiophosgene , CAS No.20464-23-7

CAS: 20464-23-7 Cat. No.: D959599 분자식: C₂Cl₄S₂ 분자량: 230.000

Storage

Room temperature

Specifications

보관 조건

Room temperature

이름과 식별자

• 정식 스마일: C1(SC(S1)(Cl)Cl)(Cl)Cl
• IUPAC Name: 2,2,4,4-tetrachloro-1,3-dithietane
• InChIKey: QIULAHZFLGCCFQ-UHFFFAOYSA-N
• INCHI: 1S/C2Cl4S2/c3-1(4)7-2(5,6)8-1
• 분자량: 230.000

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Dithietanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Dithietanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithietanes
• Alternative Parents: Dialkylthioethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dithietane - Dialkylthioether - Thioether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dithietanes. These are compounds comprising a dithietane moiety, which is four-member saturated ring containing two divalent sulfur atoms and two carbon atoms.
• 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

화학 및 물리적 특성

• 분자량: 230.000 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 229.817 Da
• Monoisotopic Mass: 227.82 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 84.600
• 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