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Home > Imidazoles > 88945-44-2
88945-44-2 | 4H-Imidazol-4-imine, 3,5-dihydro-3-(2-thiazolyl)-
CAS No: 88945-44-2 Catalog No: AG0048AK MDL No:MFCD28665295
Product Description
Catalog Number:
AG0048AK
Chemical Name:
4H-Imidazol-4-imine, 3,5-dihydro-3-(2-thiazolyl)-
CAS Number:
88945-44-2
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
MDL Number:
MFCD28665295
IUPAC Name:
1-(1,3-thiazol-2-yl)-4H-imidazol-5-imine
InChI:
InChI=1S/C6H6N4S/c7-5-3-8-4-10(5)6-9-1-2-11-6/h1-2,4,7H,3H2
InChI Key:
FRAFKJMTUAOAHV-UHFFFAOYSA-N
SMILES:
N=C1CN=CN1c1nccs1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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