1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
TL;DR: 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea (CAS 438230-41-2) is a chemical compound with molecular formula C14H21N3OS2 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
Also Known As: 1-butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea, 1-butyl-3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiourea, N-{[(butylamino)thioxomethyl]amino}-4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcar boxamide, N-butyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)hydrazinecarbothioamide
| Molecular Formula | C14H21N3OS2 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 2.5359 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1126 |
| Heavy Atoms | 20 |
| Complexity | 484.7636 |
Chemical Identifiers
| CAS Number | 438230-41-2 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)C1=CSC2=C1CCCC2 |
Product Overview
1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea (CAS 438230-41-2), with molecular formula C14H21N3OS2 and molecular weight 311.11 g/mol. IUPAC: 1-butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea.
Chemical Property Profile of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
Property Insights of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea
The XLogP value of 2.5359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-Butyl-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-Butyl-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-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
The CAS number of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is 438230-41-2.
What is the molecular formula of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
The molecular formula of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is C14H21N3OS2.
What is the molecular weight of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
The molecular weight of 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea is 311.11 g/mol.
Where can I buy 1-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
You can request a quote for 1-Butyl-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-Butyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-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.