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105613-25-0 | 1,3,4-Thiadiazole, 2-bromo-5-cyclohexyl-
CAS No: 105613-25-0 Catalog No: AG007VZY MDL No:
Product Description
Catalog Number:
AG007VZY
Chemical Name:
1,3,4-Thiadiazole, 2-bromo-5-cyclohexyl-
CAS Number:
105613-25-0
Molecular Formula:
C8H11BrN2S
Molecular Weight:
247.1553
IUPAC Name:
2-bromo-5-cyclohexyl-1,3,4-thiadiazole
InChI:
InChI=1S/C8H11BrN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChI Key:
HMFMTTSMOKQPTM-UHFFFAOYSA-N
SMILES:
Brc1nnc(s1)C1CCCCC1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.154g/mol
Monoisotopic Mass:
245.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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