2-Nitro-5-(thiomorpholin-4-yl)aniline
TL;DR: 2-Nitro-5-(thiomorpholin-4-yl)aniline (CAS 404009-18-3) is a chemical compound with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-5-thiomorpholin-4-ylaniline
Also Known As: 2-Nitro-5-thiomorpholinoaniline, 2-nitro-5-(thiomorpholin-4-yl)aniline, 2-nitro-5-thiomorpholin-4-ylaniline, 2-nitro-5-thiomorpholino-aniline, 2-nitro-5-thiomorpholin-4-yl-aniline
| Molecular Formula | C10H13N3O2S |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 1.7302 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.07285 |
| Heavy Atoms | 16 |
| Complexity | 405.05066 |
Chemical Identifiers
| CAS Number | 404009-18-3 |
|---|---|
| SMILES | C1CSCCN1C2=CC(=C(C=C2)[N+](=O)[O-])N |
Product Overview
2-Nitro-5-(thiomorpholin-4-yl)aniline (CAS 404009-18-3), with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol. IUPAC: 2-nitro-5-thiomorpholin-4-ylaniline.
Chemical Property Profile of 2-Nitro-5-(thiomorpholin-4-yl)aniline
Property Insights of 2-Nitro-5-(thiomorpholin-4-yl)aniline
The XLogP value of 1.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-5-(thiomorpholin-4-yl)aniline. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-5-(thiomorpholin-4-yl)aniline. Following Lipinski's Rule of Five, 2-Nitro-5-(thiomorpholin-4-yl)aniline has 1 hydrogen bond donor(s) and 5 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-Nitro-5-(thiomorpholin-4-yl)aniline?
The CAS number of 2-Nitro-5-(thiomorpholin-4-yl)aniline is 404009-18-3.
What is the molecular formula of 2-Nitro-5-(thiomorpholin-4-yl)aniline?
The molecular formula of 2-Nitro-5-(thiomorpholin-4-yl)aniline is C10H13N3O2S.
What is the molecular weight of 2-Nitro-5-(thiomorpholin-4-yl)aniline?
The molecular weight of 2-Nitro-5-(thiomorpholin-4-yl)aniline is 239.07 g/mol.
Where can I buy 2-Nitro-5-(thiomorpholin-4-yl)aniline?
You can request a quote for 2-Nitro-5-(thiomorpholin-4-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-(thiomorpholin-4-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-(thiomorpholin-4-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.