3-Methylbenzo(b)thiophene-2-methanol
TL;DR: 3-Methylbenzo(b)thiophene-2-methanol (CAS 3133-88-8) is a chemical compound with molecular formula C10H10OS and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-1-benzothiophen-2-yl)methanol
Also Known As: (3-Methyl-1-benzothiophen-2-yl)methanol, 3-Methylbenzo[b]thiophene-2-methanol, 3-Methylbenzothiophene-2-methanol, (3-methylbenzo[b]thiophen-2-yl)methanol, 2-Hydroxymethyl-3-methylbenzothiophene
| Molecular Formula | C10H10OS |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04524 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3133-88-8 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)CO |
| InChIKey | TXZSDWAGMTULKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbenzo(b)thiophene-2-methanol (CAS 3133-88-8), with molecular formula C10H10OS and molecular weight 178.05 g/mol. IUPAC: (3-methyl-1-benzothiophen-2-yl)methanol.
Chemical Property Profile of 3-Methylbenzo(b)thiophene-2-methanol
Property Insights of 3-Methylbenzo(b)thiophene-2-methanol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzo(b)thiophene-2-methanol. With a topological polar surface area (TPSA) of 48.5 Ų, 3-Methylbenzo(b)thiophene-2-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzo(b)thiophene-2-methanol has 1 hydrogen bond donor(s) and 2 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-Methylbenzo(b)thiophene-2-methanol?
The CAS number of 3-Methylbenzo(b)thiophene-2-methanol is 3133-88-8.
What is the molecular formula of 3-Methylbenzo(b)thiophene-2-methanol?
The molecular formula of 3-Methylbenzo(b)thiophene-2-methanol is C10H10OS.
What is the molecular weight of 3-Methylbenzo(b)thiophene-2-methanol?
The molecular weight of 3-Methylbenzo(b)thiophene-2-methanol is 178.05 g/mol.
Where can I buy 3-Methylbenzo(b)thiophene-2-methanol?
You can request a quote for 3-Methylbenzo(b)thiophene-2-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzo(b)thiophene-2-methanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzo(b)thiophene-2-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.