3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- (CAS 110623-40-0) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-, 5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione, 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-d imethyl-, 3H-1,2,4-Triazole-3-thione,5-(1,3-benzodioxol-5-yl)-2,4-dihydro-2,4-dimethyl-
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.88379 |
| Topological Polar Surface Area | 41.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 644.6515 |
Chemical Identifiers
| CAS Number | 110623-40-0 |
|---|---|
| SMILES | CN1C(=NN(C1=S)C)C2=CC3=C(C=C2)OCO3 |
Product Overview
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- (CAS 110623-40-0), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-
The XLogP value of 1.88379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-. With a topological polar surface area (TPSA) of 41.21 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- 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 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- is 110623-40-0.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- is C11H11N3O2S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- is 249.06 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.