3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile
TL;DR: 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile (CAS 796879-85-1) is a chemical compound with molecular formula C15H15N5S2 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile
Also Known As: 3,3'-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile, 3,3'-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]imino}dipropanenitrile, 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile
| Molecular Formula | C15H15N5S2 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.46416 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.07687 |
| Heavy Atoms | 22 |
| Complexity | 638.5626 |
Chemical Identifiers
| CAS Number | 796879-85-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC#N)CCC#N |
Product Overview
3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile (CAS 796879-85-1), with molecular formula C15H15N5S2 and molecular weight 329.08 g/mol. IUPAC: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile.
Chemical Property Profile of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile
Property Insights of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile
The XLogP value of 3.46416 indicates that 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile. Following Lipinski's Rule of Five, 3,3'-((5-(Benzylthio)-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-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
The CAS number of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is 796879-85-1.
What is the molecular formula of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
The molecular formula of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is C15H15N5S2.
What is the molecular weight of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
The molecular weight of 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile is 329.08 g/mol.
Where can I buy 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
You can request a quote for 3,3'-((5-(Benzylthio)-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-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)azanediyl)dipropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.