4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
TL;DR: 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile (CAS 810695-85-3) is a chemical compound with molecular formula C11H9N3S2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carbonitrile
Also Known As: 4-amino-2-thioxo-3-(o-tolyl)-2,3-dihydrothiazole-5-carbonitrile, 4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carbonitrile, 4-amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
| Molecular Formula | C11H9N3S2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 3.03059 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.02379 |
| Heavy Atoms | 16 |
| Complexity | 631.4097 |
Chemical Identifiers
| CAS Number | 810695-85-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(SC2=S)C#N)N |
Product Overview
4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile (CAS 810695-85-3), with molecular formula C11H9N3S2 and molecular weight 247.02 g/mol. IUPAC: 4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
Property Insights of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile
The XLogP value of 3.03059 indicates that 4-Amino-3-(2-methylphenyl)-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 54.74 Ų, 4-Amino-3-(2-methylphenyl)-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, 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile has 1 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-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
The CAS number of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is 810695-85-3.
What is the molecular formula of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
The molecular formula of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is C11H9N3S2.
What is the molecular weight of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
The molecular weight of 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile is 247.02 g/mol.
Where can I buy 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
You can request a quote for 4-Amino-3-(2-methylphenyl)-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 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(2-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.