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1267798-65-1 | [2-methyl-6-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CAS No: 1267798-65-1 Catalog No: AG01A3QF MDL No:MFCD19279063
Product Description
Catalog Number:
AG01A3QF
Chemical Name:
[2-methyl-6-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CAS Number:
1267798-65-1
Molecular Formula:
C9H13N3OS
Molecular Weight:
211.2840
MDL Number:
MFCD19279063
IUPAC Name:
(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
InChI:
InChI=1S/C9H13N3OS/c1-5(2)8-7(4-13)12-9(10-8)14-6(3)11-12/h5,13H,4H2,1-3H3
InChI Key:
ITZYRRFECMIBOV-UHFFFAOYSA-N
SMILES:
OCc1c(nc2n1nc(s2)C)C(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.283g/mol
Monoisotopic Mass:
211.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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