Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide
TL;DR: Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide (CAS 836-16-8) is a chemical compound with molecular formula C8H8N4O3S and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-nitrobenzoyl)amino]thiourea
Also Known As: [(4-nitrobenzoyl)amino]thiourea|1-(4-nitrobenzoyl)thiosemicarbazide|Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide|2-(4-nitrobenzoyl)hydrazine-1-carbothioamide|J1.650.333I|1-(P-NITROBENZOYL)-3-THIOSEMICARBAZIDE|N-(CARBAMOTHIOYLAMINO)-4-NITROBENZAMIDE|N-[(aminothioxomethyl)amino](4-nitrophenyl)carboxamide|RefChem:327632|DTXCID80154939
| Molecular Formula | C8H8N4O3S |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 0.0728 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.03171 |
| Heavy Atoms | 16 |
| Complexity | 431.4145 |
Chemical Identifiers
| CAS Number | 836-16-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NNC(=S)N)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide (CAS 836-16-8), with molecular formula C8H8N4O3S and molecular weight 240.03 g/mol. IUPAC: [(4-nitrobenzoyl)amino]thiourea.
Chemical Property Profile of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide
Property Insights of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide
The XLogP value of 0.0728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide. Following Lipinski's Rule of Five, Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide 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 Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide?
The CAS number of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide is 836-16-8.
What is the molecular formula of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide?
The molecular formula of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide is C8H8N4O3S.
What is the molecular weight of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide?
The molecular weight of Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide is 240.03 g/mol.
Where can I buy Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide?
You can request a quote for Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-nitro-, 2-(aminothioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.