3,4-Diaminothiophene Dihydrochloride - ≥97% , CAS No.90069-81-1

CAS: 90069-81-1 Cat. No.: D123869 Molecular Weight: 187.09 EC Number: 695-510-9

GRADE & PURITY ≥97%

Synonyms

BS-17794 | AC-6951 | BP-10014 | 3,4-Diaminothiophene dihydrochloride, 97% | Thiophene-3,4-diamine diHCl | RAMOMCXNLLLICQ-UHFFFAOYSA-N | SCHEMBL1064010 | 3,4-DIAMINOTHIOPHENE 2HCL | thiophene-3,4-diamine dihydrochloride | AMY10942 | DTXSID80507542 | Thioph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3,4-Diaminothiophene Dihydrochloride is a synthetic intermediate for organic electronics materials such as Arylenediimide-thiophene Derivatives for Organic n-channel field-effect transistors. They are also integral to the synthesis of thienopyrazine-based materials as low band gap materials for Organic Photovoltaic applications and as copolymer units for sensor applications.

application：

3,4-Diaminothiophene dihydrochloride can be used in the synthesis of thieno[3,4-b]pyrazine for thermoelectric applications. It can also be used in the synthesis of acenaphtho[1,2-b]thieno[3,4-e]pyrazine based acceptor molecules for the fabrication of organic transistors.

Specifications

Synonyms

BS-17794 | AC-6951 | BP-10014 | 3, 4-Diaminothiophene dihydrochloride, 97% | Thiophene-3, 4-diamine diHCl | RAMOMCXNLLLICQ-UHFFFAOYSA-N | SCHEMBL1064010 | 3, 4-DIAMINOTHIOPHENE 2HCL | thiophene-3, 4-diamine dihydrochloride | AMY10942 | DTXSID80507542 | Thioph

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767211
• Canonical Smiles: C1=C(C(=CS1)N)N.Cl.Cl
• IUPAC Name: thiophene-3,4-diamine;dihydrochloride
• InChIKey: RAMOMCXNLLLICQ-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H
• Isomeric SMILES: C1=C(C(=CS1)N)N.Cl.Cl
• Alternate CAS: 78637-85-1
• Molecular Weight: 187.09
• Reaxy-Rn: 5100955

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Aminothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Aminothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminothiophenes
• Alternative Parents: Heteroaromatic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminothiophene - Heteroaromatic compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminothiophenes. These are organic compounds containing an amino group attached to a thiophene ring.
• 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

Chemical and Physical Properties

• Sensitivity: Air sensitive ；Heat sensitive
• Molecular Weight: 187.090 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 185.979 Da
• Monoisotopic Mass: 185.979 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 58.700
• 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: 3

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