1H,3H-Naphtho(1,8-cd)thiopyran
TL;DR: 1H,3H-Naphtho(1,8-cd)thiopyran (CAS 20804-27-7) is a chemical compound with molecular formula C12H10S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
Also Known As: 1H,3H-Naphtho[1,8-cd]thiopyran, 1,3-Dihydro-2-thiaphenalene, 1H,8-cd]thiopyran, 1H,3H-benzo[de]isothiochromene, c12c3cccc2CSCc1ccc3
| Molecular Formula | C12H10S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.05032 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 20804-27-7 |
|---|---|
| SMILES | C1C2=CC=CC3=C2C(=CC=C3)CS1 |
| InChIKey | PIUJLKSYKOKWMI-UHFFFAOYSA-N |
Product Overview
1H,3H-Naphtho(1,8-cd)thiopyran (CAS 20804-27-7), with molecular formula C12H10S and molecular weight 186.05 g/mol. IUPAC: 3-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.
Chemical Property Profile of 1H,3H-Naphtho(1,8-cd)thiopyran
Property Insights of 1H,3H-Naphtho(1,8-cd)thiopyran
The XLogP value of 3.2 indicates that 1H,3H-Naphtho(1,8-cd)thiopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1H,3H-Naphtho(1,8-cd)thiopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,3H-Naphtho(1,8-cd)thiopyran 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 1H,3H-Naphtho(1,8-cd)thiopyran?
The CAS number of 1H,3H-Naphtho(1,8-cd)thiopyran is 20804-27-7.
What is the molecular formula of 1H,3H-Naphtho(1,8-cd)thiopyran?
The molecular formula of 1H,3H-Naphtho(1,8-cd)thiopyran is C12H10S.
What is the molecular weight of 1H,3H-Naphtho(1,8-cd)thiopyran?
The molecular weight of 1H,3H-Naphtho(1,8-cd)thiopyran is 186.05 g/mol.
Where can I buy 1H,3H-Naphtho(1,8-cd)thiopyran?
You can request a quote for 1H,3H-Naphtho(1,8-cd)thiopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,3H-Naphtho(1,8-cd)thiopyran?
Yes, KEHONG BIO provides custom synthesis services for 1H,3H-Naphtho(1,8-cd)thiopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.