3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid
TL;DR: 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid (CAS 175202-54-7) is a chemical compound with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid
Also Known As: 6-NITRO-1,2-BENZISOXAZOLE, 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid, 4,5-DIHYDRO-1-(METHYLTHIO)BENZO(C)THIOPHENE-3-CARBOXYLIC ACID, Benzo[c]thiophene-1-carboxylicacid, 6,7-dihydro-3-(methylthio)-, 3-(METHYLSULFANYL)-6,7-DIHYDRO-2-BENZOTHIOPHENE-1-CARBOXYLIC ACID
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 3.1276 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.01222 |
| Heavy Atoms | 14 |
| Complexity | 404.49966 |
Chemical Identifiers
| CAS Number | 175202-54-7 |
|---|---|
| SMILES | CSC1=C2C=CCCC2=C(S1)C(=O)O |
Product Overview
3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid (CAS 175202-54-7), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid.
Chemical Property Profile of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid
Property Insights of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid
The XLogP value of 3.1276 indicates that 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid has 1 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-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid?
The CAS number of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid is 175202-54-7.
What is the molecular formula of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid?
The molecular formula of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid is C10H10O2S2.
What is the molecular weight of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid?
The molecular weight of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid is 226.01 g/mol.
Where can I buy 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid?
You can request a quote for 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.