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203317-33-3 | 1H-Tetrazole, 5-(pentylsulfonyl)-1-phenyl-
CAS No: 203317-33-3 Catalog No: AG0028TX MDL No:
Product Description
Catalog Number:
AG0028TX
Chemical Name:
1H-Tetrazole, 5-(pentylsulfonyl)-1-phenyl-
CAS Number:
203317-33-3
Molecular Formula:
C12H16N4O2S
Molecular Weight:
280.3460
IUPAC Name:
5-pentylsulfonyl-1-phenyltetrazole
InChI:
InChI=1S/C12H16N4O2S/c1-2-3-7-10-19(17,18)12-13-14-15-16(12)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChI Key:
GWJGXPGSUHLPAG-UHFFFAOYSA-N
SMILES:
CCCCCS(=O)(=O)c1nnnn1c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.346g/mol
Monoisotopic Mass:
280.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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