![3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde structure](/static/products/5045/50451-79-1.webp)
3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde
TL;DR: 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde (CAS 50451-79-1) is a chemical compound with molecular formula C10H8OS2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1-benzothiophene-2-carbaldehyde
Also Known As: 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde, 3-Methylthio-2-benzo[b]thiophenecarboxaldehyde, 3-(methylthio)benzo[b]thiophene-2-carbaldehyde, Benzo[b]thiophene-2-carboxaldehyde, 3-(methylthio)-, 3-Methylthio-2-benzo[b]thiophenecarbaldehyde
| Molecular Formula | C10H8OS2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.00166 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 50451-79-1 |
|---|---|
| SMILES | CSC1=C(SC2=CC=CC=C21)C=O |
| InChIKey | RWNUABPWXYKZQS-UHFFFAOYSA-N |
Product Overview
3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde (CAS 50451-79-1), with molecular formula C10H8OS2 and molecular weight 208.00 g/mol. IUPAC: 3-methylsulfanyl-1-benzothiophene-2-carbaldehyde.
Chemical Property Profile of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde
Property Insights of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde
The XLogP value of 3.2 indicates that 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde. Following Lipinski's Rule of Five, 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde 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-(Methylthio)benzo[b]thiophene-2-carboxaldehyde?
The CAS number of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde is 50451-79-1.
What is the molecular formula of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde?
The molecular formula of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde is C10H8OS2.
What is the molecular weight of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde?
The molecular weight of 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde is 208.00 g/mol.
Where can I buy 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde?
You can request a quote for 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.