2-benzothioyl-N-methylhydrazinecarboxamide
TL;DR: 2-benzothioyl-N-methylhydrazinecarboxamide (CAS 109142-12-3) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenecarbonothioylamino)-3-methylurea
Also Known As: 4-methyl-1-thiobenzoylsemicarbazide, 2-benzothioyl-N-methylhydrazinecarboxamide, 1-(benzenecarbonothioylamino)-3-methylurea, 1-(benzenecarbonothioylamino)-3-methyl-urea, AE-484/32882046
Technical Specifications
| Molecular Formula | C9H11N3OS |
| Molecular Weight | 209.06229 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.06229 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | CNC(=O)NNC(=S)C1=CC=CC=C1 |
| InChIKey | AIBWPRQHFBSZBC-UHFFFAOYSA-N |
Chemical Property Profile of 2-benzothioyl-N-methylhydrazinecarboxamide
Property Insights of 2-benzothioyl-N-methylhydrazinecarboxamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzothioyl-N-methylhydrazinecarboxamide. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzothioyl-N-methylhydrazinecarboxamide. Following Lipinski's Rule of Five, 2-benzothioyl-N-methylhydrazinecarboxamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-benzothioyl-N-methylhydrazinecarboxamide?
The CAS number of 2-benzothioyl-N-methylhydrazinecarboxamide is 109142-12-3.
What is the molecular formula of 2-benzothioyl-N-methylhydrazinecarboxamide?
The molecular formula of 2-benzothioyl-N-methylhydrazinecarboxamide is C9H11N3OS.
What is the molecular weight of 2-benzothioyl-N-methylhydrazinecarboxamide?
The molecular weight of 2-benzothioyl-N-methylhydrazinecarboxamide is 209.06229 g/mol.
Where can I buy 2-benzothioyl-N-methylhydrazinecarboxamide?
You can request a quote for 2-benzothioyl-N-methylhydrazinecarboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-benzothioyl-N-methylhydrazinecarboxamide?
Yes, CoreyChem provides custom synthesis services for 2-benzothioyl-N-methylhydrazinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.