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189880-78-2 | 1,2,4-Thiadiazole, 3-(4-bromophenyl)-5-[(4-methylphenyl)sulfonyl]-
CAS No: 189880-78-2 Catalog No: AG002E2D MDL No:
Product Description
Catalog Number:
AG002E2D
Chemical Name:
1,2,4-Thiadiazole, 3-(4-bromophenyl)-5-[(4-methylphenyl)sulfonyl]-
CAS Number:
189880-78-2
Molecular Formula:
C15H11BrN2O2S2
Molecular Weight:
395.2940
IUPAC Name:
3-(4-bromophenyl)-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
InChI:
InChI=1S/C15H11BrN2O2S2/c1-10-2-8-13(9-3-10)22(19,20)15-17-14(18-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3
InChI Key:
QHLHCWICZUCGTJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1snc(n1)c1ccc(cc1)Br
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.945g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.289g/mol
Monoisotopic Mass:
393.945g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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