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1000577-73-0 | 3-Bromo-5-(4-methylphenylsulfonyl)-1,2,4-thiadiazole
CAS No: 1000577-73-0 Catalog No: AG01F8DR MDL No:
Product Description
Catalog Number:
AG01F8DR
Chemical Name:
3-Bromo-5-(4-methylphenylsulfonyl)-1,2,4-thiadiazole
CAS Number:
1000577-73-0
Molecular Formula:
C9H7BrN2O2S2
Molecular Weight:
319.1981
IUPAC Name:
3-bromo-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
InChI:
InChI=1S/C9H7BrN2O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-11-8(10)12-15-9/h2-5H,1H3
InChI Key:
FLTNPGJIOZXKQF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1snc(n1)Br
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.913g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.191g/mol
Monoisotopic Mass:
317.913g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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