![1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea structure](/static/products/4382/438236-86-3.webp)
1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
TL;DR: 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea (CAS 438236-86-3) 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-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
Also Known As: 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea, N-(3-methylphenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]hydrazinecarbothioamide, (6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-({[(3-methylphenyl)amino ]thioxomethyl}amino)carboxamide, N-(3-methylphenyl)-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinecarbothioamide
| Molecular Formula | C18H21N3OS2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 3.81272 |
| 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 | 769.3744 |
Chemical Identifiers
| CAS Number | 438236-86-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=C2C(=O)NNC(=S)NC3=CC=CC(=C3)C |
Product Overview
1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea (CAS 438236-86-3), with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol. IUPAC: 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea.
Chemical Property Profile of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
Property Insights of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
The XLogP value of 3.81272 indicates that 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]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-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]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-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea?
The CAS number of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea is 438236-86-3.
What is the molecular formula of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea?
The molecular formula of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea is C18H21N3OS2.
What is the molecular weight of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea?
The molecular weight of 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea is 359.11 g/mol.
Where can I buy 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea?
You can request a quote for 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylphenyl)-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.