4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438232-59-8) is a chemical compound with molecular formula C18H19N3S2 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide, 4-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione, 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-1,2,4-triaz ole-3-thiol
| Molecular Formula | C18H19N3S2 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 5.15403 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.10205 |
| Heavy Atoms | 23 |
| Complexity | 930.1376 |
Chemical Identifiers
| CAS Number | 438232-59-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CSC4=C3CCCC4 |
Product Overview
4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438232-59-8), with molecular formula C18H19N3S2 and molecular weight 341.10 g/mol. IUPAC: 4-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 5.15403 indicates that 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide is 438232-59-8.
What is the molecular formula of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide is C18H19N3S2.
What is the molecular weight of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide is 341.10 g/mol.
Where can I buy 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.