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Home > Imidazoles > 141400-54-6
141400-54-6 | 1H-Imidazole, 2-(ethyldithio)-
CAS No: 141400-54-6 Catalog No: AG007ZEV MDL No:MFCD20663870
Product Description
Catalog Number:
AG007ZEV
Chemical Name:
1H-Imidazole, 2-(ethyldithio)-
CAS Number:
141400-54-6
Molecular Formula:
C5H8N2S2
Molecular Weight:
160.2604
MDL Number:
MFCD20663870
IUPAC Name:
2-(ethyldisulfanyl)-1H-imidazole
InChI:
InChI=1S/C5H8N2S2/c1-2-8-9-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChI Key:
PPIZPMCVDUTABN-UHFFFAOYSA-N
SMILES:
CCSSc1ncc[nH]1
Properties
Complexity:
79.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.013g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.253g/mol
Monoisotopic Mass:
160.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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