4-Methoxy-3-nitrobenzenecarbothioamide
TL;DR: 4-Methoxy-3-nitrobenzenecarbothioamide (CAS 175277-84-6) is a chemical compound with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-nitrobenzenecarbothioamide
Also Known As: 4-methoxy-3-nitrobenzene-1-carbothioamide, 4-methoxy-3-nitrobenzenecarbothioamide, Maybridge1_008866, 4-Methoxy-3-nitrobenzothioamide, 4-methoxy-3-nitro-benzenecarbothioamide
| Molecular Formula | C8H8N2O3S |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 1.2376 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02556 |
| Heavy Atoms | 14 |
| Complexity | 392.17282 |
Chemical Identifiers
| CAS Number | 175277-84-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=S)N)[N+](=O)[O-] |
Product Overview
4-Methoxy-3-nitrobenzenecarbothioamide (CAS 175277-84-6), with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol. IUPAC: 4-methoxy-3-nitrobenzenecarbothioamide.
Chemical Property Profile of 4-Methoxy-3-nitrobenzenecarbothioamide
Property Insights of 4-Methoxy-3-nitrobenzenecarbothioamide
The XLogP value of 1.2376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-nitrobenzenecarbothioamide. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-nitrobenzenecarbothioamide. Following Lipinski's Rule of Five, 4-Methoxy-3-nitrobenzenecarbothioamide has 1 hydrogen bond donor(s) and 4 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 4-Methoxy-3-nitrobenzenecarbothioamide?
The CAS number of 4-Methoxy-3-nitrobenzenecarbothioamide is 175277-84-6.
What is the molecular formula of 4-Methoxy-3-nitrobenzenecarbothioamide?
The molecular formula of 4-Methoxy-3-nitrobenzenecarbothioamide is C8H8N2O3S.
What is the molecular weight of 4-Methoxy-3-nitrobenzenecarbothioamide?
The molecular weight of 4-Methoxy-3-nitrobenzenecarbothioamide is 212.03 g/mol.
Where can I buy 4-Methoxy-3-nitrobenzenecarbothioamide?
You can request a quote for 4-Methoxy-3-nitrobenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-nitrobenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-nitrobenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.