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Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-
TL;DR: Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- (CAS 115714-54-0) is a chemical compound with molecular formula C10H9N5OS and molecular weight 247.05278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide
Also Known As: N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide, Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-, BIM-0032440.P001, N-(1,2,4-triazol-5-yl)-N'-benzoylthiourea, N-{1,2,4-triazol-5-yl)-N'-benzoylthiourea
Technical Specifications
| Molecular Formula | C10H9N5OS |
| Molecular Weight | 247.05278 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05278 Da |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=NN2 |
| InChIKey | ISJKWWWRJNONKI-UHFFFAOYSA-N |
Chemical Property Profile of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-
Property Insights of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-. Following Lipinski's Rule of Five, Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- 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
What is the CAS number of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-?
The CAS number of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- is 115714-54-0.
What is the molecular formula of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-?
The molecular formula of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- is C10H9N5OS.
What is the molecular weight of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-?
The molecular weight of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- is 247.05278 g/mol.
Where can I buy Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-?
You can request a quote for Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-?
Yes, CoreyChem provides custom synthesis services for Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.