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1343796-64-4 | 2-bromo-5-isobutyl-1,3,4-thiadiazole
CAS No: 1343796-64-4 Catalog No: AG00J865 MDL No:MFCD18345076
Product Description
Catalog Number:
AG00J865
Chemical Name:
2-bromo-5-isobutyl-1,3,4-thiadiazole
CAS Number:
1343796-64-4
Molecular Formula:
C6H9BrN2S
Molecular Weight:
221.1181
MDL Number:
MFCD18345076
IUPAC Name:
2-bromo-5-(2-methylpropyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C6H9BrN2S/c1-4(2)3-5-8-9-6(7)10-5/h4H,3H2,1-2H3
InChI Key:
AAEFMTYTUYIGHL-UHFFFAOYSA-N
SMILES:
CC(Cc1nnc(s1)Br)C
Properties
Complexity:
110
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:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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