2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide
TL;DR: 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide (CAS 405067-47-2) is a chemical compound with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-3-(4-nitrophenyl)thiourea
Also Known As: 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide, 1-(dimethylamino)-3-(4-nitrophenyl)thiourea, AB01318313-02
| Molecular Formula | C9H12N4O2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 1.3578 |
| Topological Polar Surface Area | 70.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.0681 |
| Heavy Atoms | 16 |
| Complexity | 391.0004 |
Chemical Identifiers
| CAS Number | 405067-47-2 |
|---|---|
| SMILES | CN(C)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide (CAS 405067-47-2), with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol. IUPAC: 1-(dimethylamino)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide
Property Insights of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide
The XLogP value of 1.3578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide. The TPSA of 70.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide has 2 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 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide?
The CAS number of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide is 405067-47-2.
What is the molecular formula of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide?
The molecular formula of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide is C9H12N4O2S.
What is the molecular weight of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide?
The molecular weight of 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide is 240.07 g/mol.
Where can I buy 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide?
You can request a quote for 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-(4-nitrophenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.