Naphthalene-2,7-dithiol - ≥95% , CAS No.71977-56-5

CAS: 71977-56-5 Cat. No.: N1064381 Formula: C₁₀H₈S₂ Peso molecolare: 192.3 PubChem CID: 13379617

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=CC2=C1C=CC(=C2)S)S
• IUPAC Name: naphthalene-2,7-dithiol
• InChIKey: INUVVGTZMFIDJF-UHFFFAOYSA-N
• INCHI: 1S/C10H8S2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
• Isomeri SMILES: C1=CC(=CC2=C1C=CC(=C2)S)S
• PubChem CID: 13379617
• Peso molecolare: 192.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Thiophenols Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 192.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 192.007 Da
• Monoisotopic Mass: 192.007 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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