5-(Benzylamino)-1,3,4-thiadiazole-2-thiol
TL;DR: 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol (CAS 14731-27-2) is a chemical compound with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(benzylamino)-1,3,4-thiadiazole-2-thiol, 5-Benzylamino-[1,3,4]thiadiazole-2-thiol, 5-(benzylamino)-3H-1,3,4-thiadiazole-2-thione, 5-Benzylamino-3H-[1,3,4]thiadiazole-2-thione, 1,3,4-Thiadiazole-2(3H)-thione, 5-[(phenylmethyl)amino]-
| Molecular Formula | C9H9N3S2 |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 2.81279 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.02379 |
| Heavy Atoms | 14 |
| Complexity | 446.33554 |
Chemical Identifiers
| CAS Number | 14731-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NNC(=S)S2 |
Product Overview
5-(Benzylamino)-1,3,4-thiadiazole-2-thiol (CAS 14731-27-2), with molecular formula C9H9N3S2 and molecular weight 223.02 g/mol. IUPAC: 5-(benzylamino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol
Property Insights of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.81279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 40.71 Ų, 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzylamino)-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-(Benzylamino)-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol is 14731-27-2.
What is the molecular formula of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol is C9H9N3S2.
What is the molecular weight of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol is 223.02 g/mol.
Where can I buy 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-(Benzylamino)-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-(Benzylamino)-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.