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198126-67-9 | 1,2,3-Thiadiazole, 4-[4-(methylsulfonyl)phenyl]-5-phenyl-
CAS No: 198126-67-9 Catalog No: AG002BAP MDL No:
Product Description
Catalog Number:
AG002BAP
Chemical Name:
1,2,3-Thiadiazole, 4-[4-(methylsulfonyl)phenyl]-5-phenyl-
CAS Number:
198126-67-9
Molecular Formula:
C15H12N2O2S2
Molecular Weight:
316.3980
IUPAC Name:
4-(4-methylsulfonylphenyl)-5-phenylthiadiazole
InChI:
InChI=1S/C15H12N2O2S2/c1-21(18,19)13-9-7-11(8-10-13)14-15(20-17-16-14)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
FRPIPAXWTLBONJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)c1nnsc1c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.393g/mol
Monoisotopic Mass:
316.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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