1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea
TL;DR: 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea (CAS 438235-40-6) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea
Also Known As: 1-(1-benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea, 2-(1-benzothien-3-ylcarbonyl)-N-isobutylhydrazinecarbothioamide, 2-(1-benzothiophen-3-ylcarbonyl)-N-(2-methylpropyl)hydrazinecarbothioamide, 2-(Benzo[b]thiophene-3-carbonyl)-N-isobutylhydrazine-1-carbothioamide, benzo[b]thiophen-3-yl-N-({[(2-methylpropyl)amino]thioxomethyl}amino)carboxamid e
| Molecular Formula | C14H17N3OS2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 2.6662 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0813 |
| Heavy Atoms | 20 |
| Complexity | 621.6615 |
Chemical Identifiers
| CAS Number | 438235-40-6 |
|---|---|
| SMILES | CC(C)CNC(=S)NNC(=O)C1=CSC2=CC=CC=C21 |
Product Overview
1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea (CAS 438235-40-6), with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol. IUPAC: 1-(1-benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea.
Chemical Property Profile of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea
Property Insights of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea
The XLogP value of 2.6662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)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-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea?
The CAS number of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea is 438235-40-6.
What is the molecular formula of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea?
The molecular formula of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea is C14H17N3OS2.
What is the molecular weight of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea?
The molecular weight of 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea is 307.08 g/mol.
Where can I buy 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea?
You can request a quote for 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzothiophene-3-carbonylamino)-3-(2-methylpropyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.