![1H-thieno[3,4-b][1]benzothiol-3-one structure](/static/products/3982/39826-98-7.webp)
1H-thieno[3,4-b][1]benzothiol-3-one
TL;DR: 1H-thieno[3,4-b][1]benzothiol-3-one (CAS 39826-98-7) is a chemical compound with molecular formula C10H6OS2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-thieno[3,4-b][1]benzothiol-3-one
Also Known As: 1H-thieno[3,4-b][1]benzothiol-3-one, Thieno[3,4-b][1]benzothiophen-3(1H)-one
| Molecular Formula | C10H6OS2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.98601 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 39826-98-7 |
|---|---|
| SMILES | C1C2=C(C(=O)S1)SC3=CC=CC=C23 |
| InChIKey | VFKBWUVAZVQQJI-UHFFFAOYSA-N |
Product Overview
1H-thieno[3,4-b][1]benzothiol-3-one (CAS 39826-98-7), with molecular formula C10H6OS2 and molecular weight 205.99 g/mol. IUPAC: 1H-thieno[3,4-b][1]benzothiol-3-one.
Chemical Property Profile of 1H-thieno[3,4-b][1]benzothiol-3-one
Property Insights of 1H-thieno[3,4-b][1]benzothiol-3-one
The XLogP value of 3.2 indicates that 1H-thieno[3,4-b][1]benzothiol-3-one 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 1H-thieno[3,4-b][1]benzothiol-3-one. Following Lipinski's Rule of Five, 1H-thieno[3,4-b][1]benzothiol-3-one 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 1H-thieno[3,4-b][1]benzothiol-3-one?
The CAS number of 1H-thieno[3,4-b][1]benzothiol-3-one is 39826-98-7.
What is the molecular formula of 1H-thieno[3,4-b][1]benzothiol-3-one?
The molecular formula of 1H-thieno[3,4-b][1]benzothiol-3-one is C10H6OS2.
What is the molecular weight of 1H-thieno[3,4-b][1]benzothiol-3-one?
The molecular weight of 1H-thieno[3,4-b][1]benzothiol-3-one is 205.99 g/mol.
Where can I buy 1H-thieno[3,4-b][1]benzothiol-3-one?
You can request a quote for 1H-thieno[3,4-b][1]benzothiol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-thieno[3,4-b][1]benzothiol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1H-thieno[3,4-b][1]benzothiol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.