N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
TL;DR: N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide (CAS 17050-34-9) is a chemical compound with molecular formula C11H12N4O3S and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitrobenzoyl)amino]-3-prop-2-enylthiourea
Also Known As: N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide, 1-[(3-nitrobenzoyl)amino]-3-prop-2-enylthiourea, 1-allyl-3-[(3-nitrobenzoyl)amino]thiourea, N-allyl-2-(3-nitrobenzoyl)hydrazine-1-carbothioamide, 3-NITRO-N-{[(PROP-2-EN-1-YL)CARBAMOTHIOYL]AMINO}BENZAMIDE
| Molecular Formula | C11H12N4O3S |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 0.8897 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06302 |
| Heavy Atoms | 19 |
| Complexity | 518.4167 |
Chemical Identifiers
| CAS Number | 17050-34-9 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide (CAS 17050-34-9), with molecular formula C11H12N4O3S and molecular weight 280.06 g/mol. IUPAC: 1-[(3-nitrobenzoyl)amino]-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
Property Insights of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
The XLogP value of 0.8897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide 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 N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide?
The CAS number of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide is 17050-34-9.
What is the molecular formula of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide?
The molecular formula of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide is C11H12N4O3S.
What is the molecular weight of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide?
The molecular weight of N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide is 280.06 g/mol.
Where can I buy N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide?
You can request a quote for N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.