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

Technical Data

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Computed Properties

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

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Related Functional Groups

Triazole/Tetrazole

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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