![2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile structure](/static/products/3804/380459-48-3.webp)
2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile
TL;DR: 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile (CAS 380459-48-3) is a chemical compound with molecular formula C11H10N2S2 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
Also Known As: IDI1_006815, BAS 09537941, 2-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzonitrile, 2-(4,5-Dihydro-thiazol-2-ylsulfanylmethyl)-benzonitrile
| Molecular Formula | C11H10N2S2 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 2.89428 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.02853 |
| Heavy Atoms | 15 |
| Complexity | 420.84125 |
Chemical Identifiers
| CAS Number | 380459-48-3 |
|---|---|
| SMILES | C1CSC(=N1)SCC2=CC=CC=C2C#N |
Product Overview
2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile (CAS 380459-48-3), with molecular formula C11H10N2S2 and molecular weight 234.03 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile
Property Insights of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile
The XLogP value of 2.89428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile. With a topological polar surface area (TPSA) of 36.15 Ų, 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile 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 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile?
The CAS number of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile is 380459-48-3.
What is the molecular formula of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile?
The molecular formula of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile is C11H10N2S2.
What is the molecular weight of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile?
The molecular weight of 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile is 234.03 g/mol.
Where can I buy 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile?
You can request a quote for 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.