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Structure

3,4-Diaminothiophene dihydrochloride

CAS
90069-81-1
Catalog Number
ACM90069811
Category
Thiophenes
Molecular Weight
187.09
Molecular Formula
C4H8Cl2N2S

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Specification

Description
This material is a synthetic intermediate for organic electronics materials such as Arylenediimide-thiophene Derivatives for Organic n-channel field-effect transistors. 1They are also integral to the synthesis of thienopyrazine-based materials as low band gap materials for Organic Photovoltaic applications2 and as copolymer units for sensor applications.3
Synonyms
3,4-ThiophenediaMine dihydrochloride
IUPAC Name
Thiophene-3,4-diamine;dihydrochloride
Canonical SMILES
C1=C(C(=CS1)N)N.Cl.Cl
InChI
InChI=1S/C4H6N2S.2ClH/c5-3-1-7-2-4(3)6;/h1-2H,5-6H2;2*1H
InChI Key
RAMOMCXNLLLICQ-UHFFFAOYSA-N
Boiling Point
385.5 ºC/760mmHg (lit.)
Melting Point
>150 °C
Appearance
Gray or brown crystalline powder
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.
Storage
Keep in dark place,Inert atmosphere,2-8 °C
Assay
0.97
Complexity
58.7
Covalently-Bonded Unit Count
3
Exact Mass
185.9785248
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
4
Heavy Atom Count
9
MDL Number
MFCD00671511
Monoisotopic Mass
185.9785248
Packaging
1, 5 g in glass bottle
Quality Level
100
Rotatable Bond Count
0
Topological Polar Surface Area
80.3 Ų
What is the molecular formula of 3,4-Diaminothiophene dihydrochloride?

The molecular formula of 3,4-Diaminothiophene dihydrochloride is C4H8Cl2N2S.

What is the molecular weight of 3,4-Diaminothiophene dihydrochloride?

The molecular weight of 3,4-Diaminothiophene dihydrochloride is 187.09 g/mol.

What are some synonyms for 3,4-Diaminothiophene dihydrochloride?

Some synonyms for 3,4-Diaminothiophene dihydrochloride include 90069-81-1, thiophene-3,4-diamine dihydrochloride, and 3,4-DIAMINOTHIOPHENE.

How many hydrogen bond donor counts does 3,4-Diaminothiophene dihydrochloride have?

3,4-Diaminothiophene dihydrochloride has 4 hydrogen bond donor counts.

What is the exact mass of 3,4-Diaminothiophene dihydrochloride?

The exact mass of 3,4-Diaminothiophene dihydrochloride is 185.9785248 g/mol.

How many hydrogen bond acceptor counts does 3,4-Diaminothiophene dihydrochloride have?

3,4-Diaminothiophene dihydrochloride has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 3,4-Diaminothiophene dihydrochloride?

The topological polar surface area of 3,4-Diaminothiophene dihydrochloride is 80.3 Å2.

How many covalently-bonded unit counts does 3,4-Diaminothiophene dihydrochloride have?

3,4-Diaminothiophene dihydrochloride has 3 covalently-bonded unit counts.

Is 3,4-Diaminothiophene dihydrochloride a canonicalized compound?

Yes, 3,4-Diaminothiophene dihydrochloride is canonicalized.

When was 3,4-Diaminothiophene dihydrochloride last modified?

3,4-Diaminothiophene dihydrochloride was last modified on December 30, 2023.

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