![1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide structure](/static/products/122/122502-95-8.png)
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 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C13H18N6OS |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 0.7267 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.12628 |
| Heavy Atoms | 21 |
| Complexity | 625.90393 |
Chemical Identifiers
| CAS Number | 122502-95-8 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1 |
Product Overview
1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide (CAS 122502-95-8), with molecular formula C13H18N6OS and molecular weight 306.13 g/mol. IUPAC: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-butylthiourea.
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 0.7267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide. The TPSA of 83.87 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
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 306.13 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole-1-acetic acid, 2-[(butylamino)thioxomethyl]hydrazide?
Yes, KEHONG BIO 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.