3,4-Dimethoxythiophenol - ≥98% , CAS No.700-96-9

CAS: 700-96-9 Cat. No.: D101781 Summenformel: C₈H₁₀O₂S Molekulargewicht: 170.23 Beilstein Registry Number: 6(3)6296 EG-Nummer: 628-369-9

GRADE & PURITY ≥98%

Synonyms

3,4-Dimethoxybenzenethiol | 4-Mercaptoveratrole

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3,4-Dimethoxybenzenethiol | 4-Mercaptoveratrole

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504757077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757077
• Kanonisches Lächeln: COC1=C(C=C(C=C1)S)OC
• IUPAC Name: 3,4-dimethoxybenzenethiol
• InChIKey: MTKAJLNGIVXZIS-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3
• Isomere SMILES: COC1=C(C=C(C=C1)S)OC
• WGK Deutschland: 3
• Molekulargewicht: 170.23
• Beilstein: 6(3)6296
• Reaxy-Rn: 1945136
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945136&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Thiophenols Phenoxy compounds Anisoles Alkyl aryl ethers Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Thiophenol - Phenol ether - Anisole - Alkyl aryl ether - Arylthiol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: 1.591
• Flammpunkt (°F): 235°F
• Flammpunkt (°C): >113℃
• Siedepunkt (°C): 263℃
• Molekulargewicht: 170.230 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04 Da
• Monoisotopic Mass: 170.04 Da
• Topological Polar Surface Area: 19.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 700-96-9, the molecular formula is C8H10O2S, and the molecular weight is 170.23 g/mol. InChIKey MTKAJLNGIVXZIS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.