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86738-35-4 | 1,3,4-thiadiazole, 2-(methylsulfonyl)-5-phenyl-
CAS No: 86738-35-4 Catalog No: AG004K72 MDL No:
Product Description
Catalog Number:
AG004K72
Chemical Name:
1,3,4-thiadiazole, 2-(methylsulfonyl)-5-phenyl-
CAS Number:
86738-35-4
Molecular Formula:
C9H8N2O2S2
Molecular Weight:
240.3020
IUPAC Name:
2-methylsulfonyl-5-phenyl-1,3,4-thiadiazole
InChI:
InChI=1S/C9H8N2O2S2/c1-15(12,13)9-11-10-8(14-9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
AFKSITGTMMVRQX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nnc(s1)c1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.295g/mol
Monoisotopic Mass:
240.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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