3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile
TL;DR: 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile (CAS 799771-03-2) is a chemical compound with molecular formula C9H11N5S2 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
Also Known As: 3,3'-((5-(methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile, 3,3'-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanenitrile, 3-[2-cyanoethyl-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
| Molecular Formula | C9H11N5S2 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.0456 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 799771-03-2 |
|---|---|
| SMILES | CSC1=NN=C(S1)N(CCC#N)CCC#N |
| InChIKey | KUBCIGLSCMDMGD-UHFFFAOYSA-N |
Product Overview
3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile (CAS 799771-03-2), with molecular formula C9H11N5S2 and molecular weight 253.05 g/mol. IUPAC: 3-[2-cyanoethyl-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.
Chemical Property Profile of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile
Property Insights of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile. Following Lipinski's Rule of Five, 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile has 0 hydrogen bond donor(s) and 7 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 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
The CAS number of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is 799771-03-2.
What is the molecular formula of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
The molecular formula of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is C9H11N5S2.
What is the molecular weight of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
The molecular weight of 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is 253.05 g/mol.
Where can I buy 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
You can request a quote for 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-((5-(Methylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.