5-(Methylsulfonyl)-1H-indazole - CAS 1268816-48-3
Catalog: |
BB006694 |
Product Name: |
5-(Methylsulfonyl)-1H-indazole |
CAS: |
1268816-48-3 |
Synonyms: |
5-methylsulfonyl-1H-indazole; 5-methylsulfonyl-1H-indazole |
IUPAC Name: | 5-methylsulfonyl-1H-indazole |
Description: | 5-(Methylsulfonyl)-1H-indazole (CAS# 1268816-48-3) is a useful research chemical. |
Molecular Weight: | 196.23 |
Molecular Formula: | C8H8N2O2S |
Canonical SMILES: | CS(=O)(=O)C1=CC2=C(C=C1)NN=C2 |
InChI: | InChI=1S/C8H8N2O2S/c1-13(11,12)7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10) |
InChI Key: | VLCCXHFNVCNWPU-UHFFFAOYSA-N |
LogP: | 2.04720 |
Publication Number | Title | Priority Date |
CN-104024258-A | Pyrrolopyrazine kinase inhibitors | 20110901 |
CN-104024258-B | Pyrrolopyrazine kinase inhibitors | 20110901 |
EP-2763990-A1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
EP-2763990-B1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
JP-2014530172-A | Pyrrolopyrazine kinase inhibitor | 20110901 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.03064868 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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