TL;DR: Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide (CAS 113387-62-5) is a chemical compound with molecular formula C10H9N3O2S2 and molecular weight 267.0136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dimethylpyrazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide
Also Known As: Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide, 3-(3,5-Dimethyl-1H-pyrazol-1-yl)thieno(3,4-d)isothiazole 1,1-dioxide, 3-(3,5-dimethylpyrazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide, 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-1H-1lambda~6~-thieno[3,4-d][1,2]thiazole-1,1-dione, BRN 5965066
| Molecular Formula | C10H9N3O2S2 |
| Molecular Weight | 267.0136 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.0136 Da |
| Heavy Atoms | 17 |
| Complexity | 457.0 |
| SMILES | CC1=CC(=NN1C2=NS(=O)(=O)C3=CSC=C32)C |
| InChIKey | FTGJDKHKKXCJSI-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide. Following Lipinski's Rule of Five, Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide is 113387-62-5.
The molecular formula of Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide is C10H9N3O2S2.
The molecular weight of Thieno(3,4-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide is 267.0136 g/mol.
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