2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide
TL;DR: 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide (CAS 588677-46-7) is a chemical compound with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophene-3-carbonylamino)-3-(3,5-dimethylphenyl)thiourea
Also Known As: 3-(benzothiophene-3-carbonylamino)-1-(3,5-dimethylphenyl)thiourea, 1-(1-benzothiophene-3-carbonylamino)-3-(3,5-dimethylphenyl)thiourea, Benzo[b]thiophene-3-carboxylic acid, 2-[[(3,5-dimethylphenyl)amino]thioxomethyl]hydrazide (9CI), 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide, benzo[b]thiophen-3-yl-N-({[(3,5-dimethylphenyl)amino]thioxomethyl}amino)carbox amide
| Molecular Formula | C18H17N3OS2 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 4.14954 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.0813 |
| Heavy Atoms | 24 |
| Complexity | 897.2728 |
Chemical Identifiers
| CAS Number | 588677-46-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32)C |
Product Overview
2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide (CAS 588677-46-7), with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol. IUPAC: 1-(1-benzothiophene-3-carbonylamino)-3-(3,5-dimethylphenyl)thiourea.
Chemical Property Profile of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide
Property Insights of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide
The XLogP value of 4.14954 indicates that 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide 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 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide?
The CAS number of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide is 588677-46-7.
What is the molecular formula of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide?
The molecular formula of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide is C18H17N3OS2.
What is the molecular weight of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide?
The molecular weight of 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide is 355.08 g/mol.
Where can I buy 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide?
You can request a quote for 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzothiophen-3-ylcarbonyl)-N-(3,5-dimethylphenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.