3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- (CAS 7271-49-0) is a chemical compound with molecular formula C9H17N3S and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptyl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: EINECS 230-690-0, 5-Heptyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 5-heptyl-2,4-dihydro-, 2,4-Dihydro-5-heptyl-3H-1,2,4-triazole-3-thione, 5-heptyl-1,2-dihydro-1,2,4-triazole-3-thione
| Molecular Formula | C9H17N3S |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 2.98019 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 199.11432 |
| Heavy Atoms | 13 |
| Complexity | 276.38724 |
Chemical Identifiers
| CAS Number | 7271-49-0 |
|---|---|
| SMILES | CCCCCCCC1=NC(=S)NN1 |
Product Overview
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- (CAS 7271-49-0), with molecular formula C9H17N3S and molecular weight 199.11 g/mol. IUPAC: 5-heptyl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-
The XLogP value of 2.98019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-. With a topological polar surface area (TPSA) of 44.47 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- 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-heptyl- has 2 hydrogen bond donor(s) and 2 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-heptyl-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- is 7271-49-0.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- is C9H17N3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- is 199.11 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- 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-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.