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

CAS: 16128-68-0 Cat. No.: B152748 Formule: C₄H₁₀S₂ Poids moléculaire: 122.24 Numéro CE: 240-290-8

GRADE & PURITY ≥97%(GC)

Synonyms

1,2-Dithiolbutane | AKOS006275079 | UNII-2L7E5T7FUM | 1-Ethyl-1,2-ethanedithiol | FEMA No. 3528 | DTXSID60864665 | D89045 | Q27254892 | SCHEMBL487204 | butane-1,2-dithiol | CHEBI:179051 | FEMA 3528 | 1,2-Butanedithiol | 2L7E5T7FUM | EINECS 240-290-8 | 1,2

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

1,2-Dithiolbutane | AKOS006275079 | UNII-2L7E5T7FUM | 1-Ethyl-1,2-ethanedithiol | FEMA No. 3528 | DTXSID60864665 | D89045 | Q27254892 | SCHEMBL487204 | butane-1,2-dithiol | CHEBI:179051 | FEMA 3528 | 1,2-Butanedithiol | 2L7E5T7FUM | EINECS 240-290-8 | 1,2

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

508806947

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCC(CS)S

Poids moléculaire

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
    • Classe Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.52
• Point d'éclair (°C): 61 °C
• Point d'ébullition (°C): 77°C/28mmHg(lit.)
• Poids moléculaire: 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