5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol (CAS 27391-63-5) is a chemical compound with molecular formula C6H11N3S2 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(tert-butylamino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(tert-butylamino)-1,3,4-thiadiazole-2-thiol, 5-(tert-butylamino)-3H-1,3,4-thiadiazole-2-thione, 5-(tert-butylamino)-1,3,4-thiadiazole-2(3h)-thione, 845-768-5, RefChem:531659
| Molecular Formula | C6H11N3S2 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.41109 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.03944 |
| Heavy Atoms | 11 |
| Complexity | 280.50778 |
Chemical Identifiers
| CAS Number | 27391-63-5 |
|---|---|
| SMILES | CC(C)(C)NC1=NNC(=S)S1 |
Product Overview
5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol (CAS 27391-63-5), with molecular formula C6H11N3S2 and molecular weight 189.04 g/mol. IUPAC: 5-(tert-butylamino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.41109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 40.71 Ų, 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol has 2 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-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol is 27391-63-5.
What is the molecular formula of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol is C6H11N3S2.
What is the molecular weight of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol is 189.04 g/mol.
Where can I buy 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(Tert-butylamino)-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-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Tert-butylamino)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.