7-Methylbenzopentathiepin
TL;DR: 7-Methylbenzopentathiepin (CAS 109988-33-2) is a chemical compound with molecular formula C7H6S5 and molecular weight 249.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1,2,3,4,5-benzopentathiepine
Also Known As: 7-Methylbenzopentathiepin, methylbenzopentathiepin, 7-methyl-1,2,3,4,5-benzopentathiepine, 7-methyl-1,2,3,4,5-benzopentathiepin, NCI60_038709
| Molecular Formula | C7H6S5 |
|---|---|
| Molecular Weight | 249.91 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.9073 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 109988-33-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SSSSS2 |
| InChIKey | UCLBADMPOHUZHA-UHFFFAOYSA-N |
Product Overview
7-Methylbenzopentathiepin (CAS 109988-33-2), with molecular formula C7H6S5 and molecular weight 249.91 g/mol. IUPAC: 7-methyl-1,2,3,4,5-benzopentathiepine.
Chemical Property Profile of 7-Methylbenzopentathiepin
Property Insights of 7-Methylbenzopentathiepin
The XLogP value of 3.8 indicates that 7-Methylbenzopentathiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methylbenzopentathiepin. Following Lipinski's Rule of Five, 7-Methylbenzopentathiepin has 0 hydrogen bond donor(s) and 5 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 7-Methylbenzopentathiepin?
The CAS number of 7-Methylbenzopentathiepin is 109988-33-2.
What is the molecular formula of 7-Methylbenzopentathiepin?
The molecular formula of 7-Methylbenzopentathiepin is C7H6S5.
What is the molecular weight of 7-Methylbenzopentathiepin?
The molecular weight of 7-Methylbenzopentathiepin is 249.91 g/mol.
Where can I buy 7-Methylbenzopentathiepin?
You can request a quote for 7-Methylbenzopentathiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylbenzopentathiepin?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylbenzopentathiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.