Home Other Building Blocks 5-METHANESULFONYL-1-NAPHTHALEN-1-YL-1H-TETRAZOLE

5-METHANESULFONYL-1-NAPHTHALEN-1-YL-1H-TETRAZOLE

CAS No.:
329211-16-7
Catalog Number:
AG01EILN
Molecular Formula:
C12H10N4O2S
Molecular Weight:
274.2984
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Product Description
Catalog Number:
AG01EILN
Chemical Name:
5-METHANESULFONYL-1-NAPHTHALEN-1-YL-1H-TETRAZOLE
CAS Number:
329211-16-7
Molecular Formula:
C12H10N4O2S
Molecular Weight:
274.2984
MDL Number:
MFCD00683221
IUPAC Name:
5-methylsulfonyl-1-naphthalen-1-yltetrazole
InChI:
InChI=1S/C12H10N4O2S/c1-19(17,18)12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChI Key:
GMOPMVYORVRFNP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nnnn1c1cccc2c1cccc2
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.052g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.298g/mol
Monoisotopic Mass:
274.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties