![5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione structure](/static/products/911/91129-85-0.png)
5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione (CAS 91129-85-0) is a chemical compound with molecular formula C10H11N3S2 and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylethylamino)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-[(2-phenylethyl)amino]-1,3,4-thiadiazole-2-thiol, ADENOSINEAMINECONGENER(ADAC), 5-(2-phenylethylamino)-3H-1,3,4-thiadiazole-2-thione, BAS 04913959, 5-(Phenethylamino)-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C10H11N3S2 |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 2.85529 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.03944 |
| Heavy Atoms | 15 |
| Complexity | 460.77466 |
Chemical Identifiers
| CAS Number | 91129-85-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=NNC(=S)S2 |
Product Overview
5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione (CAS 91129-85-0), with molecular formula C10H11N3S2 and molecular weight 237.04 g/mol. IUPAC: 5-(2-phenylethylamino)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 2.85529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 40.71 Ų, 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione 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-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione is 91129-85-0.
What is the molecular formula of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione is C10H11N3S2.
What is the molecular weight of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione is 237.04 g/mol.
Where can I buy 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Phenylethyl)amino]-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.