5-Bromo-2-methoxybenzene-1-carbothioamide
TL;DR: 5-Bromo-2-methoxybenzene-1-carbothioamide (CAS 303111-32-2) is a chemical compound with molecular formula C8H8BrNOS and molecular weight 244.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methoxybenzenecarbothioamide
Also Known As: 5-bromo-2-methoxybenzene-1-carbothioamide, 5-bromo-2-methoxybenzenecarbothioamide, 2-Methoxy-5-bromobenzothioamide, 5-bromo-2-methoxy-benzenecarbothioamide, J1.387.819F
| Molecular Formula | C8H8BrNOS |
|---|---|
| Molecular Weight | 244.95 g/mol |
| LogP | 2.0919 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.951 |
| Heavy Atoms | 12 |
| Complexity | 313.9262 |
Chemical Identifiers
| CAS Number | 303111-32-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=S)N |
Product Overview
5-Bromo-2-methoxybenzene-1-carbothioamide (CAS 303111-32-2), with molecular formula C8H8BrNOS and molecular weight 244.95 g/mol. IUPAC: 5-bromo-2-methoxybenzenecarbothioamide.
Chemical Property Profile of 5-Bromo-2-methoxybenzene-1-carbothioamide
Property Insights of 5-Bromo-2-methoxybenzene-1-carbothioamide
The XLogP value of 2.0919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-methoxybenzene-1-carbothioamide. With a topological polar surface area (TPSA) of 35.25 Ų, 5-Bromo-2-methoxybenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-methoxybenzene-1-carbothioamide 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 5-Bromo-2-methoxybenzene-1-carbothioamide?
The CAS number of 5-Bromo-2-methoxybenzene-1-carbothioamide is 303111-32-2.
What is the molecular formula of 5-Bromo-2-methoxybenzene-1-carbothioamide?
The molecular formula of 5-Bromo-2-methoxybenzene-1-carbothioamide is C8H8BrNOS.
What is the molecular weight of 5-Bromo-2-methoxybenzene-1-carbothioamide?
The molecular weight of 5-Bromo-2-methoxybenzene-1-carbothioamide is 244.95 g/mol.
Where can I buy 5-Bromo-2-methoxybenzene-1-carbothioamide?
You can request a quote for 5-Bromo-2-methoxybenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-methoxybenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-methoxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.