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3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide
TL;DR: 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide (CAS 650615-86-4) is a chemical compound with molecular formula C11H9Cl2N3S and molecular weight 284.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,5-dichloroimidazol-1-yl)methyl]benzenecarbothioamide
Also Known As: 3-[(4,5-dichloroimidazol-1-yl)methyl]benzenecarbothioamide, 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]benzene-1-carbothioamide
| Molecular Formula | C11H9Cl2N3S |
|---|---|
| Molecular Weight | 284.99 g/mol |
| LogP | 2.8724 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.9894 |
| Heavy Atoms | 17 |
| Complexity | 565.59424 |
Chemical Identifiers
| CAS Number | 650615-86-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=S)N)CN2C=NC(=C2Cl)Cl |
Product Overview
3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide (CAS 650615-86-4), with molecular formula C11H9Cl2N3S and molecular weight 284.99 g/mol. IUPAC: 3-[(4,5-dichloroimidazol-1-yl)methyl]benzenecarbothioamide.
Chemical Property Profile of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide
Property Insights of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide
The XLogP value of 2.8724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide has 1 hydrogen bond donor(s) and 2 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 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide?
The CAS number of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide is 650615-86-4.
What is the molecular formula of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide?
The molecular formula of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide is C11H9Cl2N3S.
What is the molecular weight of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide?
The molecular weight of 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide is 284.99 g/mol.
Where can I buy 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide?
You can request a quote for 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4,5-Dichloroimidazol-1-yl)methyl]benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.