5-(Allylamino)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(Allylamino)-1,3,4-thiadiazole-2-thiol (CAS 91780-33-5) is a chemical compound with molecular formula C5H7N3S2 and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(prop-2-enylamino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(allylamino)-1,3,4-thiadiazole-2-thiol, 5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol, 5-(prop-2-enylamino)-3H-1,3,4-thiadiazole-2-thione, 5-(allylamino)-1,3,4-thiadiazole-2(3H)-thione, J1.021.970A
| Molecular Formula | C5H7N3S2 |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 1.79859 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.00813 |
| Heavy Atoms | 10 |
| Complexity | 261.8568 |
Chemical Identifiers
| CAS Number | 91780-33-5 |
|---|---|
| SMILES | C=CCNC1=NNC(=S)S1 |
Product Overview
5-(Allylamino)-1,3,4-thiadiazole-2-thiol (CAS 91780-33-5), with molecular formula C5H7N3S2 and molecular weight 173.01 g/mol. IUPAC: 5-(prop-2-enylamino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol
The XLogP value of 1.79859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Allylamino)-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 40.71 Ų, 5-(Allylamino)-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Allylamino)-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-(Allylamino)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol is 91780-33-5.
What is the molecular formula of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol is C5H7N3S2.
What is the molecular weight of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(Allylamino)-1,3,4-thiadiazole-2-thiol is 173.01 g/mol.
Where can I buy 5-(Allylamino)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(Allylamino)-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-(Allylamino)-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Allylamino)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.