5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol (CAS 89601-20-7) is a chemical compound with molecular formula C6H10N2S3 and molecular weight 206.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(isobutylthio)-1,3,4-thiadiazole-2-thiol, 5-Isobutylthio-1,3,4-thiadiazole-2-thiol, 5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione, 5-[(2-methylpropyl)sulfanyl]-1,3,4-thiadiazole-2-thiol, 5-(isobutylthio)-3H-1,3,4-thiadiazole-2-thione
| Molecular Formula | C6H10N2S3 |
|---|---|
| Molecular Weight | 206.00 g/mol |
| LogP | 2.94879 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.00061 |
| Heavy Atoms | 11 |
| Complexity | 262.79117 |
Chemical Identifiers
| CAS Number | 89601-20-7 |
|---|---|
| SMILES | CC(C)CSC1=NNC(=S)S1 |
Product Overview
5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol (CAS 89601-20-7), with molecular formula C6H10N2S3 and molecular weight 206.00 g/mol. IUPAC: 5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.94879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 28.68 Ų, 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol has 1 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 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol is 89601-20-7.
What is the molecular formula of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol is C6H10N2S3.
What is the molecular weight of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol is 206.00 g/mol.
Where can I buy 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.