3-Bromo-4,5-dimethoxybenzene-1-carbothioamide
TL;DR: 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide (CAS 145736-82-9) is a chemical compound with molecular formula C9H10BrNO2S and molecular weight 274.96155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4,5-dimethoxybenzenecarbothioamide
Also Known As: 3-bromo-4,5-dimethoxybenzene-1-carbothioamide, 3-bromo-4,5-dimethoxybenzothioamide, 3-bromo-4,5-dimethoxybenzenecarbothioamide
Technical Specifications
| Molecular Formula | C9H10BrNO2S |
| Molecular Weight | 274.96155 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.96155 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | COC1=C(C(=CC(=C1)C(=S)N)Br)OC |
| InChIKey | IXDDUPZXABLGBW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide
Property Insights of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide. Following Lipinski's Rule of Five, 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide?
The CAS number of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide is 145736-82-9.
What is the molecular formula of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide?
The molecular formula of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide is C9H10BrNO2S.
What is the molecular weight of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide?
The molecular weight of 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide is 274.96155 g/mol.
Where can I buy 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide?
You can request a quote for 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-4,5-dimethoxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.