3-Methoxy-1-benzothiophene-2-carbonitrile
TL;DR: 3-Methoxy-1-benzothiophene-2-carbonitrile (CAS 66831-79-6) is a chemical compound with molecular formula C10H7NOS and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1-benzothiophene-2-carbonitrile
Also Known As: 3-methoxy-1-benzothiophene-2-carbonitrile, Bionet2_000964, 11L-617S, 3-Methoxybenzo[b]thiophene-2-carbonitrile, Benzo[b]thiophene-2-carbonitrile, 3-methoxy-
| Molecular Formula | C10H7NOS |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 2.78158 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.02484 |
| Heavy Atoms | 13 |
| Complexity | 481.12067 |
Chemical Identifiers
| CAS Number | 66831-79-6 |
|---|---|
| SMILES | COC1=C(SC2=CC=CC=C21)C#N |
Product Overview
3-Methoxy-1-benzothiophene-2-carbonitrile (CAS 66831-79-6), with molecular formula C10H7NOS and molecular weight 189.02 g/mol. IUPAC: 3-methoxy-1-benzothiophene-2-carbonitrile.
Chemical Property Profile of 3-Methoxy-1-benzothiophene-2-carbonitrile
Property Insights of 3-Methoxy-1-benzothiophene-2-carbonitrile
The XLogP value of 2.78158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-1-benzothiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Methoxy-1-benzothiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-1-benzothiophene-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 3-Methoxy-1-benzothiophene-2-carbonitrile?
The CAS number of 3-Methoxy-1-benzothiophene-2-carbonitrile is 66831-79-6.
What is the molecular formula of 3-Methoxy-1-benzothiophene-2-carbonitrile?
The molecular formula of 3-Methoxy-1-benzothiophene-2-carbonitrile is C10H7NOS.
What is the molecular weight of 3-Methoxy-1-benzothiophene-2-carbonitrile?
The molecular weight of 3-Methoxy-1-benzothiophene-2-carbonitrile is 189.02 g/mol.
Where can I buy 3-Methoxy-1-benzothiophene-2-carbonitrile?
You can request a quote for 3-Methoxy-1-benzothiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1-benzothiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1-benzothiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.