![3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile structure](/static/products/3006/300686-01-5.webp)
3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile
TL;DR: 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile (CAS 300686-01-5) is a chemical compound with molecular formula C5H6N4S and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3,4-thiadiazol-2-ylamino)propanenitrile
Also Known As: Propanenitrile,3- -, 3-((1,3,4-thiadiazol-2-yl)amino)propanenitrile, 3-[(1,3,4-thiadiazol-2-yl)amino]propanenitrile, BAS 00134393, 3-(1,3,4-thiadiazol-2-ylamino)propanenitrile
| Molecular Formula | C5H6N4S |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | 0.86368 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.03131 |
| Heavy Atoms | 10 |
| Complexity | 212.05186 |
Chemical Identifiers
| CAS Number | 300686-01-5 |
|---|---|
| SMILES | C1=NN=C(S1)NCCC#N |
Product Overview
3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile (CAS 300686-01-5), with molecular formula C5H6N4S and molecular weight 154.03 g/mol. IUPAC: 3-(1,3,4-thiadiazol-2-ylamino)propanenitrile.
Chemical Property Profile of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile
Property Insights of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile
The XLogP value of 0.86368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile. Following Lipinski's Rule of Five, 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile has 1 hydrogen bond donor(s) and 5 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 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile?
The CAS number of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile is 300686-01-5.
What is the molecular formula of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile?
The molecular formula of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile is C5H6N4S.
What is the molecular weight of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile?
The molecular weight of 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile is 154.03 g/mol.
Where can I buy 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile?
You can request a quote for 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3,4-Thiadiazol-2-yl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.