4-Heptadecyl-1,3-dithiole-2-thione
TL;DR: 4-Heptadecyl-1,3-dithiole-2-thione (CAS 79196-29-5) is a chemical compound with molecular formula C20H36S3 and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptadecyl-1,3-dithiole-2-thione
Also Known As: 4-heptadecyl-1,3-dithiole-2-thione, 4-heptadecyl-1,3-dithiolene-2-thione, 1,3-Dithiole-2-thione, 4-heptadecyl-, 4-Heptadecyl-2H-1,3-dithiole-2-thione
| Molecular Formula | C20H36S3 |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 8.95299 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 372.1979 |
| Heavy Atoms | 23 |
| Complexity | 405.01932 |
Chemical Identifiers
| CAS Number | 79196-29-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=CSC(=S)S1 |
Product Overview
4-Heptadecyl-1,3-dithiole-2-thione (CAS 79196-29-5), with molecular formula C20H36S3 and molecular weight 372.20 g/mol. IUPAC: 4-heptadecyl-1,3-dithiole-2-thione.
Chemical Property Profile of 4-Heptadecyl-1,3-dithiole-2-thione
Property Insights of 4-Heptadecyl-1,3-dithiole-2-thione
The XLogP value of 8.95299 indicates that 4-Heptadecyl-1,3-dithiole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Heptadecyl-1,3-dithiole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptadecyl-1,3-dithiole-2-thione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Heptadecyl-1,3-dithiole-2-thione?
The CAS number of 4-Heptadecyl-1,3-dithiole-2-thione is 79196-29-5.
What is the molecular formula of 4-Heptadecyl-1,3-dithiole-2-thione?
The molecular formula of 4-Heptadecyl-1,3-dithiole-2-thione is C20H36S3.
What is the molecular weight of 4-Heptadecyl-1,3-dithiole-2-thione?
The molecular weight of 4-Heptadecyl-1,3-dithiole-2-thione is 372.20 g/mol.
Where can I buy 4-Heptadecyl-1,3-dithiole-2-thione?
You can request a quote for 4-Heptadecyl-1,3-dithiole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptadecyl-1,3-dithiole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptadecyl-1,3-dithiole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.