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Home > Imidazoles > 141400-56-8
141400-56-8 | 1H-Imidazole, 2-[(1-methylethyl)dithio]-
CAS No: 141400-56-8 Catalog No: AG007ZEU MDL No:
Product Description
Catalog Number:
AG007ZEU
Chemical Name:
1H-Imidazole, 2-[(1-methylethyl)dithio]-
CAS Number:
141400-56-8
Molecular Formula:
C6H10N2S2
Molecular Weight:
174.2870
IUPAC Name:
2-(propan-2-yldisulfanyl)-1H-imidazole
InChI:
InChI=1S/C6H10N2S2/c1-5(2)9-10-6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChI Key:
BRPQVPHMEPSKJY-UHFFFAOYSA-N
SMILES:
CC(SSc1ncc[nH]1)C
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.28g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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