3,4-Dimethylthiophene - ≥98% , CAS No.632-15-5

CAS: 632-15-5 Cat. No.: D589741 Summenformel: C₆H₈S Molekulargewicht: 112.19 EG-Nummer: 874-601-9

GRADE & PURITY ≥98%

Synonyms

A-D-ribofuranoside | Q27161705 | EC-000.1634 | SCHEMBL129408 | 3,4-Dimethylthiophene | 3,4-dimethyl-thiophene | AS-47616 | F14672 | AMY10944 | FT-0603718 | Methyl-5-deoxy-2,3-O Cisopropylidene- | MFCD01764731 | EN300-86409 | CHEBI:89511 | UNII-96Q084Q43E

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

A-D-ribofuranoside | Q27161705 | EC-000.1634 | SCHEMBL129408 | 3,4-Dimethylthiophene | 3,4-dimethyl-thiophene | AS-47616 | F14672 | AMY10944 | FT-0603718 | Methyl-5-deoxy-2,3-O Cisopropylidene- | MFCD01764731 | EN300-86409 | CHEBI:89511 | UNII-96Q084Q43E

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1=CSC=C1C

IUPAC Name

3,4-dimethylthiophene

InChIKey

GPSFYJDZKSRMKZ-UHFFFAOYSA-N

INCHI

1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3

Isomere SMILES

CC1=CSC=C1C

UN-Nummer

1993

Verpackungsgruppe

III

Molekulargewicht

112.19

Reaxy-Rn

105219

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105219&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Molekulargewicht: 112.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.035 Da
• Monoisotopic Mass: 112.035 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.200
• 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