3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- (CAS 114058-93-4) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-5-naphthalen-1-yl-1,2,4-triazole-3-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-, 2,4-Dihydro-2,4-dimethyl-5-(naphthalenyl)-3H-1,2,4-triazole-3-thione, 2,4-dimethyl-5-naphthalen-1-yl-1,2,4-triazole-3-thione, 2,4-Dimethyl-5-(naphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, BRN 6727008
Technical Specifications
| Molecular Formula | C14H13N3S |
| Molecular Weight | 255.08302 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.08302 Da |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
| SMILES | CN1C(=NN(C1=S)C)C2=CC=CC3=CC=CC=C32 |
| InChIKey | DYGLSSWDOVUHQR-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-
The XLogP value of 3.1 indicates that 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- 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-2,4-dimethyl-5-(naphthalenyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- is 114058-93-4.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- is C14H13N3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- is 255.08302 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.