N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide
TL;DR: N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide (CAS 117026-15-0) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-methoxybenzoyl)amino]-3-prop-2-enylthiourea
Also Known As: N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide, 1-[(4-methoxybenzoyl)amino]-3-prop-2-enylthiourea, 1-allyl-3-[(4-methoxybenzoyl)amino]thiourea, N-allyl-2-(4-methoxybenzoyl)hydrazine-1-carbothioamide, 1-[(4-methoxybenzoyl)amino]-3-prop-2-enyl-thiourea
Technical Specifications
| Molecular Formula | C12H15N3O2S |
| Molecular Weight | 265.0885 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.0885 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C |
| InChIKey | CSDMHJODKPTDFY-UHFFFAOYSA-N |
Chemical Property Profile of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide
Property Insights of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide?
The CAS number of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide is 117026-15-0.
What is the molecular formula of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide?
The molecular formula of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide is C12H15N3O2S.
What is the molecular weight of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide?
The molecular weight of N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide is 265.0885 g/mol.
Where can I buy N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide?
You can request a quote for N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide?
Yes, CoreyChem provides custom synthesis services for N-allyl-2-(4-methoxybenzoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.