![Benz[cd]indole-2(1H)-thione structure](/static/products/4734/4734-98-9.webp)
Benz[cd]indole-2(1H)-thione
TL;DR: Benz[cd]indole-2(1H)-thione (CAS 4734-98-9) is a chemical compound with molecular formula C11H7NS and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzo[cd]indole-2-thione
Also Known As: Benz[cd]indole-2(1H)-thione, 1H-Benzo[cd]indole-2-thione, benz(cd)indol-2-thiol, benzo[cd]indole-2(1H)-thione, benz(cd)indole-2-thiol
| Molecular Formula | C11H7NS |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 2.9408 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.02992 |
| Heavy Atoms | 13 |
| Complexity | 511.22925 |
Chemical Identifiers
| CAS Number | 4734-98-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=S)NC3=CC=C2 |
Product Overview
Benz[cd]indole-2(1H)-thione (CAS 4734-98-9), with molecular formula C11H7NS and molecular weight 185.03 g/mol. IUPAC: 1H-benzo[cd]indole-2-thione.
Chemical Property Profile of Benz[cd]indole-2(1H)-thione
Property Insights of Benz[cd]indole-2(1H)-thione
The XLogP value of 2.9408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz[cd]indole-2(1H)-thione. With a topological polar surface area (TPSA) of 12.03 Ų, Benz[cd]indole-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz[cd]indole-2(1H)-thione has 1 hydrogen bond donor(s) and 1 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 Benz[cd]indole-2(1H)-thione?
The CAS number of Benz[cd]indole-2(1H)-thione is 4734-98-9.
What is the molecular formula of Benz[cd]indole-2(1H)-thione?
The molecular formula of Benz[cd]indole-2(1H)-thione is C11H7NS.
What is the molecular weight of Benz[cd]indole-2(1H)-thione?
The molecular weight of Benz[cd]indole-2(1H)-thione is 185.03 g/mol.
Where can I buy Benz[cd]indole-2(1H)-thione?
You can request a quote for Benz[cd]indole-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz[cd]indole-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for Benz[cd]indole-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.