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Home > Bromides > 1000577-61-6
1000577-61-6 | 3-Bromo-5-(phenylsulfonyl)-1,2,4-thiadiazole
CAS No: 1000577-61-6 Catalog No: AG01FAIT MDL No:
Product Description
Catalog Number:
AG01FAIT
Chemical Name:
3-Bromo-5-(phenylsulfonyl)-1,2,4-thiadiazole
CAS Number:
1000577-61-6
Molecular Formula:
C8H5BrN2O2S2
Molecular Weight:
305.1715
IUPAC Name:
5-(benzenesulfonyl)-3-bromo-1,2,4-thiadiazole
InChI:
InChI=1S/C8H5BrN2O2S2/c9-7-10-8(14-11-7)15(12,13)6-4-2-1-3-5-6/h1-5H
InChI Key:
JYACXTDCHHOQMC-UHFFFAOYSA-N
SMILES:
Brc1nsc(n1)S(=O)(=O)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.898g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.164g/mol
Monoisotopic Mass:
303.898g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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