Naphtho(1,8-bc)thiete
TL;DR: Naphtho(1,8-bc)thiete (CAS 3968-63-6) is a chemical compound with molecular formula C10H6S and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
Also Known As: Naphtho(1,8-bc)thiete, Naphtho[1,8-bc]thiete, 1,8-Epithionaphthalene, Thieto[2,3,4-ij]naphthalene, J1.438.501K
| Molecular Formula | C10H6S |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.01903 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 3968-63-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)SC3=CC=C2 |
| InChIKey | RTQFVSTVMCVKCY-UHFFFAOYSA-N |
Product Overview
Naphtho(1,8-bc)thiete (CAS 3968-63-6), with molecular formula C10H6S and molecular weight 158.02 g/mol. IUPAC: 2-thiatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.
Chemical Property Profile of Naphtho(1,8-bc)thiete
Property Insights of Naphtho(1,8-bc)thiete
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphtho(1,8-bc)thiete. With a topological polar surface area (TPSA) of 25.3 Ų, Naphtho(1,8-bc)thiete exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphtho(1,8-bc)thiete has 0 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 Naphtho(1,8-bc)thiete?
The CAS number of Naphtho(1,8-bc)thiete is 3968-63-6.
What is the molecular formula of Naphtho(1,8-bc)thiete?
The molecular formula of Naphtho(1,8-bc)thiete is C10H6S.
What is the molecular weight of Naphtho(1,8-bc)thiete?
The molecular weight of Naphtho(1,8-bc)thiete is 158.02 g/mol.
Where can I buy Naphtho(1,8-bc)thiete?
You can request a quote for Naphtho(1,8-bc)thiete directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphtho(1,8-bc)thiete?
Yes, KEHONG BIO provides custom synthesis services for Naphtho(1,8-bc)thiete and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.