3H,7H-Naphtho(1,8-de)-1,2-dithiepin
TL;DR: 3H,7H-Naphtho(1,8-de)-1,2-dithiepin (CAS 75574-98-0) is a chemical compound with molecular formula C12H10S2 and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,12-dithiatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
Also Known As: 3H,7H-Naphtho(1,8-de)-1,2-dithiepin, 1H,4H-Naphtho[1,8-de][1,2]dithiepine, 3H,7H-Naphtho[1,8-de]-1,2-dithiepin, RefChem:282887
| Molecular Formula | C12H10S2 |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.0224 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 75574-98-0 |
|---|---|
| SMILES | C1C2=CC=CC3=C2C(=CC=C3)CSS1 |
| InChIKey | GSNROYHKXDJENG-UHFFFAOYSA-N |
Product Overview
3H,7H-Naphtho(1,8-de)-1,2-dithiepin (CAS 75574-98-0), with molecular formula C12H10S2 and molecular weight 218.02 g/mol. IUPAC: 11,12-dithiatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene.
Chemical Property Profile of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin
Property Insights of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin
The XLogP value of 3.2 indicates that 3H,7H-Naphtho(1,8-de)-1,2-dithiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3H,7H-Naphtho(1,8-de)-1,2-dithiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H,7H-Naphtho(1,8-de)-1,2-dithiepin has 0 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 3H,7H-Naphtho(1,8-de)-1,2-dithiepin?
The CAS number of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin is 75574-98-0.
What is the molecular formula of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin?
The molecular formula of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin is C12H10S2.
What is the molecular weight of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin?
The molecular weight of 3H,7H-Naphtho(1,8-de)-1,2-dithiepin is 218.02 g/mol.
Where can I buy 3H,7H-Naphtho(1,8-de)-1,2-dithiepin?
You can request a quote for 3H,7H-Naphtho(1,8-de)-1,2-dithiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H,7H-Naphtho(1,8-de)-1,2-dithiepin?
Yes, KEHONG BIO provides custom synthesis services for 3H,7H-Naphtho(1,8-de)-1,2-dithiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.