C9H13N7O2S
TL;DR: C9H13N7O2S (CAS 1001519-09-0) is a chemical compound with molecular formula C9H13N7O2S and molecular weight 283.08514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
Also Known As: 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine, 3-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl-sulfanyl)-5-methyl-[1,2,4]triazol-4-ylamine, 3-(((3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)methyl)thio)-5-methyl-4h-1,2,4-triazol-4-amine, 3-(3,5-dimethyl-4-nitro-pyrazol-1-ylmethylsulfanyl)-5-methyl-[1,2,4]triazol-4-ylamine, 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
Technical Specifications
| Molecular Formula | C9H13N7O2S |
| Molecular Weight | 283.08514 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08514 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | CC1=C(C(=NN1CSC2=NN=C(N2N)C)C)[N+](=O)[O-] |
| InChIKey | GJGYWVAZJJORBE-UHFFFAOYSA-N |
Chemical Property Profile of C9H13N7O2S
Property Insights of C9H13N7O2S
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H13N7O2S. The TPSA of 146.0 Ų indicates high polarity, suggesting C9H13N7O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C9H13N7O2S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C9H13N7O2S?
The CAS number of C9H13N7O2S is 1001519-09-0.
What is the molecular formula of C9H13N7O2S?
The molecular formula of C9H13N7O2S is C9H13N7O2S.
What is the molecular weight of C9H13N7O2S?
The molecular weight of C9H13N7O2S is 283.08514 g/mol.
Where can I buy C9H13N7O2S?
You can request a quote for C9H13N7O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C9H13N7O2S?
Yes, CoreyChem provides custom synthesis services for C9H13N7O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.