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Thieno[2,3-b]thiophene-2-carbonitrile
TL;DR: Thieno[2,3-b]thiophene-2-carbonitrile (CAS 40985-59-9) is a chemical compound with molecular formula C7H3NS2 and molecular weight 164.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thieno[2,3-b]thiophene-5-carbonitrile
Also Known As: Thieno[2,3-b]thiophene-2-carbonitrile, thieno[2,3-b]thiophene-5-carbonitrile, AI-942/25034320
| Molecular Formula | C7H3NS2 |
|---|---|
| Molecular Weight | 164.97 g/mol |
| LogP | 2.83448 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.97069 |
| Heavy Atoms | 10 |
| Complexity | 362.30353 |
Chemical Identifiers
| CAS Number | 40985-59-9 |
|---|---|
| SMILES | C1=CSC2=C1C=C(S2)C#N |
Product Overview
Thieno[2,3-b]thiophene-2-carbonitrile (CAS 40985-59-9), with molecular formula C7H3NS2 and molecular weight 164.97 g/mol. IUPAC: thieno[2,3-b]thiophene-5-carbonitrile.
Chemical Property Profile of Thieno[2,3-b]thiophene-2-carbonitrile
Property Insights of Thieno[2,3-b]thiophene-2-carbonitrile
The XLogP value of 2.83448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno[2,3-b]thiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, Thieno[2,3-b]thiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thieno[2,3-b]thiophene-2-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thieno[2,3-b]thiophene-2-carbonitrile?
The CAS number of Thieno[2,3-b]thiophene-2-carbonitrile is 40985-59-9.
What is the molecular formula of Thieno[2,3-b]thiophene-2-carbonitrile?
The molecular formula of Thieno[2,3-b]thiophene-2-carbonitrile is C7H3NS2.
What is the molecular weight of Thieno[2,3-b]thiophene-2-carbonitrile?
The molecular weight of Thieno[2,3-b]thiophene-2-carbonitrile is 164.97 g/mol.
Where can I buy Thieno[2,3-b]thiophene-2-carbonitrile?
You can request a quote for Thieno[2,3-b]thiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thieno[2,3-b]thiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Thieno[2,3-b]thiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.