5-Nitrothiophene-2-carbothioamide
TL;DR: 5-Nitrothiophene-2-carbothioamide (CAS 30096-68-5) is a chemical compound with molecular formula C5H4N2O2S2 and molecular weight 187.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrothiophene-2-carbothioamide
Also Known As: 5-nitrothiophene-2-carbothioamide, Cyto7H5, 2-Thiophenecarbothioamide, 5-nitro-
| Molecular Formula | C5H4N2O2S2 |
|---|---|
| Molecular Weight | 187.97 g/mol |
| LogP | 1.2905 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.97142 |
| Heavy Atoms | 11 |
| Complexity | 278.686 |
Chemical Identifiers
| CAS Number | 30096-68-5 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C(=S)N |
Product Overview
5-Nitrothiophene-2-carbothioamide (CAS 30096-68-5), with molecular formula C5H4N2O2S2 and molecular weight 187.97 g/mol. IUPAC: 5-nitrothiophene-2-carbothioamide.
Chemical Property Profile of 5-Nitrothiophene-2-carbothioamide
Property Insights of 5-Nitrothiophene-2-carbothioamide
The XLogP value of 1.2905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrothiophene-2-carbothioamide. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrothiophene-2-carbothioamide. Following Lipinski's Rule of Five, 5-Nitrothiophene-2-carbothioamide 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 5-Nitrothiophene-2-carbothioamide?
The CAS number of 5-Nitrothiophene-2-carbothioamide is 30096-68-5.
What is the molecular formula of 5-Nitrothiophene-2-carbothioamide?
The molecular formula of 5-Nitrothiophene-2-carbothioamide is C5H4N2O2S2.
What is the molecular weight of 5-Nitrothiophene-2-carbothioamide?
The molecular weight of 5-Nitrothiophene-2-carbothioamide is 187.97 g/mol.
Where can I buy 5-Nitrothiophene-2-carbothioamide?
You can request a quote for 5-Nitrothiophene-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrothiophene-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrothiophene-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.