![3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione structure](/static/products/829/82955-23-5.png)
3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
TL;DR: 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione (CAS 82955-23-5) is a chemical compound with molecular formula C13H15N3S2 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-yl-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione
Also Known As: 3-(2-thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione, 10X-0047, 3-(thiophen-2-yl)-1,4,6-triazatricyclo[6.2.2.0^{2,7}]dodec-2(7)-ene-5-thione, 3-(2-THIENYL)-1,4,6-TRIAZATRICYCLO[6.2.2.0(2,7)]DODEC-2(7)-ENE-5-THIONE, 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0>2,7>]dodec-2(7)-ene-5-thione
| Molecular Formula | C13H15N3S2 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 2.2041 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.07074 |
| Heavy Atoms | 18 |
| Complexity | 512.3485 |
Chemical Identifiers
| CAS Number | 82955-23-5 |
|---|---|
| SMILES | C1CN2CCC1C3=C2C(NC(=S)N3)C4=CC=CS4 |
Product Overview
3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione (CAS 82955-23-5), with molecular formula C13H15N3S2 and molecular weight 277.07 g/mol. IUPAC: 3-thiophen-2-yl-1,4,6-triazatricyclo[6.2.2.02,7]dodec-2(7)-ene-5-thione.
Chemical Property Profile of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
Property Insights of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
The XLogP value of 2.2041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione. With a topological polar surface area (TPSA) of 27.3 Ų, 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione has 2 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 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The CAS number of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is 82955-23-5.
What is the molecular formula of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The molecular formula of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is C13H15N3S2.
What is the molecular weight of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
The molecular weight of 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione is 277.07 g/mol.
Where can I buy 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
You can request a quote for 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Thienyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.