1,2,3-Trithia-5-cycloheptene
TL;DR: 1,2,3-Trithia-5-cycloheptene (CAS 13005-82-8) is a chemical compound with molecular formula C4H6S3 and molecular weight 149.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dihydrotrithiepine
Also Known As: 4,7-dihydrotrithiepine, 1,2,3-trithia-5-cycloheptene, 1,2,3-trithiacyclo-hept-5-ene, 1,2,3-Trithiepin,4,7-dihydro, 1,2,3-Trithiepin, 4,7-dihydro-
| Molecular Formula | C4H6S3 |
|---|---|
| Molecular Weight | 149.96 g/mol |
| LogP | 2.5858 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.96317 |
| Heavy Atoms | 7 |
| Complexity | 61.33516 |
Chemical Identifiers
| CAS Number | 13005-82-8 |
|---|---|
| SMILES | C1C=CCSSS1 |
Product Overview
1,2,3-Trithia-5-cycloheptene (CAS 13005-82-8), with molecular formula C4H6S3 and molecular weight 149.96 g/mol. IUPAC: 4,7-dihydrotrithiepine.
Chemical Property Profile of 1,2,3-Trithia-5-cycloheptene
Property Insights of 1,2,3-Trithia-5-cycloheptene
The XLogP value of 2.5858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trithia-5-cycloheptene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trithia-5-cycloheptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trithia-5-cycloheptene has 0 hydrogen bond donor(s) and 3 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 1,2,3-Trithia-5-cycloheptene?
The CAS number of 1,2,3-Trithia-5-cycloheptene is 13005-82-8.
What is the molecular formula of 1,2,3-Trithia-5-cycloheptene?
The molecular formula of 1,2,3-Trithia-5-cycloheptene is C4H6S3.
What is the molecular weight of 1,2,3-Trithia-5-cycloheptene?
The molecular weight of 1,2,3-Trithia-5-cycloheptene is 149.96 g/mol.
Where can I buy 1,2,3-Trithia-5-cycloheptene?
You can request a quote for 1,2,3-Trithia-5-cycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trithia-5-cycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trithia-5-cycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.