1,3,4-Thiadiazole-2-thiol, 5-phenyl-
TL;DR: 1,3,4-Thiadiazole-2-thiol, 5-phenyl- (CAS 5585-19-3) is a chemical compound with molecular formula C8H6N2S2 and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-Phenyl-1,3,4-thiadiazole-2-thiol, 5-Phenyl-1,3,4-thiadiazole-2(3H)-thione, 1,3,4-Thiadiazole-2-thiol, 5-phenyl-, 5-phenyl-3H-1,3,4-thiadiazole-2-thione, 2-Mercapto-5-fenil-1,3,4-tiadiazolo
| Molecular Formula | C8H6N2S2 |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 2.86769 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.99724 |
| Heavy Atoms | 12 |
| Complexity | 415.87784 |
Chemical Identifiers
| CAS Number | 5585-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)S2 |
Product Overview
1,3,4-Thiadiazole-2-thiol, 5-phenyl- (CAS 5585-19-3), with molecular formula C8H6N2S2 and molecular weight 194.00 g/mol. IUPAC: 5-phenyl-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 1,3,4-Thiadiazole-2-thiol, 5-phenyl-
Property Insights of 1,3,4-Thiadiazole-2-thiol, 5-phenyl-
The XLogP value of 2.86769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole-2-thiol, 5-phenyl-. With a topological polar surface area (TPSA) of 28.68 Ų, 1,3,4-Thiadiazole-2-thiol, 5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole-2-thiol, 5-phenyl- has 1 hydrogen bond donor(s) and 3 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 1,3,4-Thiadiazole-2-thiol, 5-phenyl-?
The CAS number of 1,3,4-Thiadiazole-2-thiol, 5-phenyl- is 5585-19-3.
What is the molecular formula of 1,3,4-Thiadiazole-2-thiol, 5-phenyl-?
The molecular formula of 1,3,4-Thiadiazole-2-thiol, 5-phenyl- is C8H6N2S2.
What is the molecular weight of 1,3,4-Thiadiazole-2-thiol, 5-phenyl-?
The molecular weight of 1,3,4-Thiadiazole-2-thiol, 5-phenyl- is 194.00 g/mol.
Where can I buy 1,3,4-Thiadiazole-2-thiol, 5-phenyl-?
You can request a quote for 1,3,4-Thiadiazole-2-thiol, 5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole-2-thiol, 5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole-2-thiol, 5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.