![3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile structure](/static/products/2111/21116-02-9.webp)
3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
TL;DR: 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile (CAS 21116-02-9) is a chemical compound with molecular formula C5H6N4S2 and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
Also Known As: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
| Molecular Formula | C5H6N4S2 |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.00339 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 21116-02-9 |
|---|---|
| SMILES | C(CSC1=NN=C(S1)N)C#N |
| InChIKey | HLDNUXTVHFSSCK-UHFFFAOYSA-N |
Product Overview
3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile (CAS 21116-02-9), with molecular formula C5H6N4S2 and molecular weight 186.00 g/mol. IUPAC: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile.
Chemical Property Profile of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
Property Insights of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile. Following Lipinski's Rule of Five, 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile has 1 hydrogen bond donor(s) and 6 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-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
The CAS number of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile is 21116-02-9.
What is the molecular formula of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
The molecular formula of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile is C5H6N4S2.
What is the molecular weight of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
The molecular weight of 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile is 186.00 g/mol.
Where can I buy 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
You can request a quote for 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.