2-Nitrobenzene-1-carbothioamide
TL;DR: 2-Nitrobenzene-1-carbothioamide (CAS 70102-35-1) is a chemical compound with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobenzenecarbothioamide
Also Known As: 2-Nitrobenzothioamide, 2-nitrobenzenecarbothioamide, nitrobenzothioamide, 2-nitrobenzene-1-carbothioamide, 2-nitrobenzthioamide
| Molecular Formula | C7H6N2O2S |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 1.229 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.015 |
| Heavy Atoms | 12 |
| Complexity | 304.9332 |
Chemical Identifiers
| CAS Number | 70102-35-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=S)N)[N+](=O)[O-] |
Product Overview
2-Nitrobenzene-1-carbothioamide (CAS 70102-35-1), with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol. IUPAC: 2-nitrobenzenecarbothioamide.
Chemical Property Profile of 2-Nitrobenzene-1-carbothioamide
Property Insights of 2-Nitrobenzene-1-carbothioamide
The XLogP value of 1.229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzene-1-carbothioamide. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzene-1-carbothioamide. Following Lipinski's Rule of Five, 2-Nitrobenzene-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
Frequently Asked Questions
What is the CAS number of 2-Nitrobenzene-1-carbothioamide?
The CAS number of 2-Nitrobenzene-1-carbothioamide is 70102-35-1.
What is the molecular formula of 2-Nitrobenzene-1-carbothioamide?
The molecular formula of 2-Nitrobenzene-1-carbothioamide is C7H6N2O2S.
What is the molecular weight of 2-Nitrobenzene-1-carbothioamide?
The molecular weight of 2-Nitrobenzene-1-carbothioamide is 182.01 g/mol.
Where can I buy 2-Nitrobenzene-1-carbothioamide?
You can request a quote for 2-Nitrobenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.