![4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile structure](/static/products/7824/782457-31-2.webp)
4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile
TL;DR: 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile (CAS 782457-31-2) is a chemical compound with molecular formula C16H12N4S2 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
Also Known As: 4-{[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile, 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile, 4-({[5-(phenylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)benzonitrile, 4-(((5-(Phenylamino)-1,3,4-thiadiazol-2-yl)thio)methyl)benzonitrile, 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzonitrile
| Molecular Formula | C16H12N4S2 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 4.44568 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.05035 |
| Heavy Atoms | 22 |
| Complexity | 775.9104 |
Chemical Identifiers
| CAS Number | 782457-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N |
Product Overview
4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile (CAS 782457-31-2), with molecular formula C16H12N4S2 and molecular weight 324.05 g/mol. IUPAC: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile
Property Insights of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile
The XLogP value of 4.44568 indicates that 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile. Following Lipinski's Rule of Five, 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile 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 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile?
The CAS number of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile is 782457-31-2.
What is the molecular formula of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile?
The molecular formula of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile is C16H12N4S2.
What is the molecular weight of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile?
The molecular weight of 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile is 324.05 g/mol.
Where can I buy 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile?
You can request a quote for 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.