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1000574-92-4 | 3-Bromo-5-(thiophen-2-ylsulfonyl)-1,2,4-thiadiazole
CAS No: 1000574-92-4 Catalog No: AG01F8NN MDL No:
Product Description
Catalog Number:
AG01F8NN
Chemical Name:
3-Bromo-5-(thiophen-2-ylsulfonyl)-1,2,4-thiadiazole
CAS Number:
1000574-92-4
Molecular Formula:
C6H3BrN2O2S3
Molecular Weight:
311.1992
IUPAC Name:
3-bromo-5-thiophen-2-ylsulfonyl-1,2,4-thiadiazole
InChI:
InChI=1S/C6H3BrN2O2S3/c7-5-8-6(13-9-5)14(10,11)4-2-1-3-12-4/h1-3H
InChI Key:
JREVGVDXRCWDDB-UHFFFAOYSA-N
SMILES:
Brc1nsc(n1)S(=O)(=O)c1cccs1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.854g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.186g/mol
Monoisotopic Mass:
309.854g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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