3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
TL;DR: 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile (CAS 478261-56-2) is a chemical compound with molecular formula C12H10N2S3 and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4-methylsulfanyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile
Also Known As: 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile, 3-(4-methylphenyl)-4-methylsulfanyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile, 3-(4-methylphenyl)-4-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbonitrile, 4-(methylthio)-3-(p-tolyl)-2-thioxo-4-thiazoline-5-carbonitrile, 3-(4-methylphenyl)-4-(methylthio)-2-sulfanylidene-5-thiazolecarbonitrile
| Molecular Formula | C12H10N2S3 |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 4.17029 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0006 |
| Heavy Atoms | 17 |
| Complexity | 629.25085 |
Chemical Identifiers
| CAS Number | 478261-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(SC2=S)C#N)SC |
Product Overview
3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile (CAS 478261-56-2), with molecular formula C12H10N2S3 and molecular weight 278.00 g/mol. IUPAC: 3-(4-methylphenyl)-4-methylsulfanyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
Property Insights of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
The XLogP value of 4.17029 indicates that 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile 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 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
The CAS number of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is 478261-56-2.
What is the molecular formula of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
The molecular formula of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is C12H10N2S3.
What is the molecular weight of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
The molecular weight of 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is 278.00 g/mol.
Where can I buy 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
You can request a quote for 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.