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3005-50-3 | 1-(1H-imidazole-1-sulfinyl)-1H-imidazole
CAS No: 3005-50-3 Catalog No: AG01C2ZE MDL No:MFCD16876680
Product Description
Catalog Number:
AG01C2ZE
Chemical Name:
1-(1H-imidazole-1-sulfinyl)-1H-imidazole
CAS Number:
3005-50-3
Molecular Formula:
C6H6N4OS
Molecular Weight:
182.2030
MDL Number:
MFCD16876680
IUPAC Name:
1-imidazol-1-ylsulfinylimidazole
InChI:
InChI=1S/C6H6N4OS/c11-12(9-3-1-7-5-9)10-4-2-8-6-10/h1-6H
InChI Key:
CNJBTSUNQWPABV-UHFFFAOYSA-N
SMILES:
O=S(n1cncc1)n1cncc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.201g/mol
Monoisotopic Mass:
182.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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