![1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea structure](/static/products/5886/588686-36-6.webp)
1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea
TL;DR: 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea (CAS 588686-36-6) is a chemical compound with molecular formula C15H23N3OS2 and molecular weight 325.13 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-methylthiourea
Also Known As: 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea, 2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]-N-methylhydrazinecarbothioamide, 3-methyl-1-[(6-tert-butyl4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]thiourea, [6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-{[(methylamino)thi oxomethyl]amino}carboxamide
| Molecular Formula | C15H23N3OS2 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.6378 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.12827 |
| Heavy Atoms | 21 |
| Complexity | 545.6039 |
Chemical Identifiers
| CAS Number | 588686-36-6 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=S)NC |
Product Overview
1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea (CAS 588686-36-6), with molecular formula C15H23N3OS2 and molecular weight 325.13 g/mol. IUPAC: 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea.
Chemical Property Profile of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea
Property Insights of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea
The XLogP value of 2.6378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea. 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-methylthiourea 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-methylthiourea 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-methylthiourea?
The CAS number of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea is 588686-36-6.
What is the molecular formula of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea?
The molecular formula of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea is C15H23N3OS2.
What is the molecular weight of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea?
The molecular weight of 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea is 325.13 g/mol.
Where can I buy 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea?
You can request a quote for 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea 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-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.