5-[4-(Methylsulfonyl)phenyl]-2H-tetrazole - CAS 441054-54-2
Catalog: |
BB025526 |
Product Name: |
5-[4-(Methylsulfonyl)phenyl]-2H-tetrazole |
CAS: |
441054-54-2 |
Synonyms: |
5-(4-methylsulfonylphenyl)-2H-tetrazole; 5-(4-methylsulfonylphenyl)-2H-tetrazole |
IUPAC Name: | 5-(4-methylsulfonylphenyl)-2H-tetrazole |
Description: | 5-[4-(Methylsulfonyl)phenyl]-2H-tetrazole (CAS# 441054-54-2) is a useful research chemical. |
Molecular Weight: | 224.24 |
Molecular Formula: | C8H8N4O2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)C2=NNN=N2 |
InChI: | InChI=1S/C8H8N4O2S/c1-15(13,14)7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
InChI Key: | QNQGKDWSIRANDF-UHFFFAOYSA-N |
LogP: | 1.35100 |
Publication Number | Title | Priority Date |
US-2010256109-A1 | Azetidines As EP2 Antagonists | 20071115 |
EP-1351952-A2 | Pyrrolidinylmethyl substituted decahydroisoquinolines as excitatory amino acid receptor antagonists | 20010105 |
US-2004063749-A1 | Excitatory amino acid receptor antagonists | 20010105 |
US-6855725-B2 | Excitatory amino acid receptor antagonists | 20010105 |
WO-02053556-A2 | Pyrrolidinylmethyl substituted decahydroisoquinolines as excitatory amino acid receptor antagonists | 20010105 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.03679668 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.03679668 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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