![3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one structure](/static/products/6863/686326-25-0.webp)
3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
TL;DR: 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one (CAS 686326-25-0) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
Also Known As: 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one, AS-871/42087154, 3,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one, 3,7-dimethyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]1,2,3-triazin-4-one
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.5148 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 613.4526 |
Chemical Identifiers
| CAS Number | 686326-25-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(N=N3)C |
Product Overview
3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one (CAS 686326-25-0), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 3,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one.
Chemical Property Profile of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Property Insights of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
The XLogP value of 1.5148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one. With a topological polar surface area (TPSA) of 47.78 Ų, 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one?
The CAS number of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one is 686326-25-0.
What is the molecular formula of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one?
The molecular formula of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one is C11H13N3OS.
What is the molecular weight of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one?
The molecular weight of 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one is 235.08 g/mol.
Where can I buy 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one?
You can request a quote for 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.