1,2-Butandithiol - ≥97%(GC) , CAS No.16128-68-0

CAS: 16128-68-0 Cat. No.: B152748 Summenformel: C₄H₁₀S₂ Molekulargewicht: 122.24 EG-Nummer: 240-290-8

QUALITÄT & REINHEIT ≥97%(GC)

Synonyms

1,2-Dithiolbutan | AKOS006275079 | UNII-2L7E5T7FUM | 1-Ethyl-1,2-ethandithiol | FEMA No. 3528 | DTXSID60864665 | D89045 | Q27254892 | SCHEMBL487204 | butan-1,2-dithiol | CHEBI:179051 | FEMA 3528 | 1,2-Butandithiol | 2L7E5T7FUM | EINECS 240-290-8 | 1,2

Storage

Room temperature,Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

1,2-Dithiolbutan | AKOS006275079 | UNII-2L7E5T7FUM | 1-Ethyl-1,2-ethandithiol | FEMA No. 3528 | DTXSID60864665 | D89045 | Q27254892 | SCHEMBL487204 | butan-1,2-dithiol | CHEBI:179051 | FEMA 3528 | 1,2-Butandithiol | 2L7E5T7FUM | EINECS 240-290-8 | 1,2

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

508806947

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806947

Kanonisches Lächeln

CCC(CS)S

IUPAC Name

butane-1,2-dithiol

InChIKey

LFTMJBWNOFFSRW-UHFFFAOYSA-N

INCHI

1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

Isomere SMILES

CCC(CS)S

Molekulargewicht

122.24

Reaxy-Rn

1731392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.52
• Flammpunkt (°C): 61 °C
• Siedepunkt (°C): 77°C/28mmHg(lit.)
• Molekulargewicht: 122.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 122.022 Da
• Monoisotopic Mass: 122.022 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1