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151340-15-7 | 1,2,5-Thiadiazole, 3-bromo-4-(1,1-dimethylethyl)-
CAS No: 151340-15-7 Catalog No: AG001NAV MDL No:
Product Description
Catalog Number:
AG001NAV
Chemical Name:
1,2,5-Thiadiazole, 3-bromo-4-(1,1-dimethylethyl)-
CAS Number:
151340-15-7
Molecular Formula:
C6H9BrN2S
Molecular Weight:
221.1181
IUPAC Name:
3-bromo-4-tert-butyl-1,2,5-thiadiazole
InChI:
InChI=1S/C6H9BrN2S/c1-6(2,3)4-5(7)9-10-8-4/h1-3H3
InChI Key:
LUYWIYTZCPFMHQ-UHFFFAOYSA-N
SMILES:
CC(c1nsnc1Br)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.116g/mol
Monoisotopic Mass:
219.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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