![(4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile structure](/static/products/1752/175205-46-6.webp)
(4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile
TL;DR: (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile (CAS 175205-46-6) is a chemical compound with molecular formula C10H7N3S and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(thiadiazol-4-yl)phenyl]acetonitrile
Also Known As: 2-[4-(thiadiazol-4-yl)phenyl]acetonitrile, (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile, (Tetrahydro-pyran-2-yl)acetic acid, 2-(4-(1,2,3-Thiadiazol-4-yl)phenyl)acetonitrile, 2-[4-(1,2,3-thiadiazol-4-yl)phenyl]acetonitrile
| Molecular Formula | C10H7N3S |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.27118 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.03607 |
| Heavy Atoms | 14 |
| Complexity | 439.2194 |
Chemical Identifiers
| CAS Number | 175205-46-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)C2=CSN=N2 |
Product Overview
(4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile (CAS 175205-46-6), with molecular formula C10H7N3S and molecular weight 201.04 g/mol. IUPAC: 2-[4-(thiadiazol-4-yl)phenyl]acetonitrile.
Chemical Property Profile of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile
Property Insights of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile
The XLogP value of 2.27118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile has 0 hydrogen bond donor(s) and 4 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-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile?
The CAS number of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile is 175205-46-6.
What is the molecular formula of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile?
The molecular formula of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile is C10H7N3S.
What is the molecular weight of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile?
The molecular weight of (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile is 201.04 g/mol.
Where can I buy (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile?
You can request a quote for (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-[1,2,3]Thiadiazol-4-Yl-Phenyl)-Acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.