![1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide structure](/static/products/122/122502-95-8.webp)
1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide
TL;DR: 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide (CAS 122502-95-8) is a chemical compound with molecular formula C13H18N6OS and molecular weight 306.12628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-butylthiourea
Also Known As: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-butylthiourea, 2-[(1H-Benzotriazol-1-yl)acetyl]-N-butylhydrazine-1-carbothioamide, 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide
Technical Specifications
| Molecular Formula | C13H18N6OS |
| Molecular Weight | 306.12628 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.12628 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | CCCCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1 |
| InChIKey | HCKDKFSDEMFLQE-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide
Property Insights of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide. Following Lipinski's Rule of Five, 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide 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 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide?
The CAS number of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide is 122502-95-8.
What is the molecular formula of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide?
The molecular formula of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide is C13H18N6OS.
What is the molecular weight of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide?
The molecular weight of 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide is 306.12628 g/mol.
Where can I buy 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide?
You can request a quote for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide?
Yes, CoreyChem provides custom synthesis services for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.