1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
TL;DR: 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea (CAS 438236-85-2) is a chemical compound with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
Also Known As: 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea, N-(2,5-dimethylphenyl)-2-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)hydrazinecarbothioamide, N-({[(2,5-dimethylphenyl)amino]thioxomethyl}amino)-4,5,6,7-tetrahydrobenzo[b]t hiophen-3-ylcarboxamide, N-(2,5-dimethylphenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)hydrazinecarbothioamide
| Molecular Formula | C18H21N3OS2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 3.87514 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.1126 |
| Heavy Atoms | 24 |
| Complexity | 782.5662 |
Chemical Identifiers
| CAS Number | 438236-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CSC3=C2CCCC3 |
Product Overview
1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea (CAS 438236-85-2), with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol. IUPAC: 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea.
Chemical Property Profile of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
Property Insights of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
The XLogP value of 3.87514 indicates that 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea has 3 hydrogen bond donor(s) and 3 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 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
The CAS number of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is 438236-85-2.
What is the molecular formula of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
The molecular formula of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is C18H21N3OS2.
What is the molecular weight of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
The molecular weight of 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is 359.11 g/mol.
Where can I buy 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
You can request a quote for 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-dimethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.