![1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea structure](/static/products/4382/438236-41-0.webp)
1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea
TL;DR: 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea (CAS 438236-41-0) is a chemical compound with molecular formula C22H29N3OS2 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea
Also Known As: 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea, 2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]-N-(1-phenylethyl)hydrazinecarbothioamide, [6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-({[(phenylethyl)am ino]thioxomethyl}amino)carboxamide, 2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]-N-(1-phenylethyl)hydrazinecarbothioamide
| Molecular Formula | C22H29N3OS2 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 4.7692 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.1752 |
| Heavy Atoms | 28 |
| Complexity | 839.2119 |
Chemical Identifiers
| CAS Number | 438236-41-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=S)NNC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C |
Product Overview
1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea (CAS 438236-41-0), with molecular formula C22H29N3OS2 and molecular weight 415.18 g/mol. IUPAC: 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea.
Chemical Property Profile of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea
Property Insights of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea
The XLogP value of 4.7692 indicates that 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)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-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)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-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea?
The CAS number of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea is 438236-41-0.
What is the molecular formula of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea?
The molecular formula of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea is C22H29N3OS2.
What is the molecular weight of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea?
The molecular weight of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea is 415.18 g/mol.
Where can I buy 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea?
You can request a quote for 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-(1-phenylethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.