2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide
TL;DR: 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide (CAS 20131-55-9) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitroanilino)-3-phenylthiourea
Also Known As: 1-(4-nitroanilino)-3-phenylthiourea, 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide, 3-[(4-NITROPHENYL)AMINO]-1-PHENYLTHIOUREA, 1-(4-Nitrophenyl)-4-phenylthiosemicarbazide, J2.588.267I
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.9083 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 601.528 |
Chemical Identifiers
| CAS Number | 20131-55-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide (CAS 20131-55-9), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 1-(4-nitroanilino)-3-phenylthiourea.
Chemical Property Profile of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide
Property Insights of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide
The XLogP value of 2.9083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide has 3 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 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide?
The CAS number of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide is 20131-55-9.
What is the molecular formula of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide?
The molecular formula of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide is C13H12N4O2S.
What is the molecular weight of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide?
The molecular weight of 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide is 288.07 g/mol.
Where can I buy 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide?
You can request a quote for 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.