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100442-40-8 | 1H-Imidazole, 4,4'-[1,2-ethanediylbis(thiomethylene)]bis[5-methyl- (9CI)
CAS No: 100442-40-8 Catalog No: AG0001ZG MDL No:
Product Description
Catalog Number:
AG0001ZG
Chemical Name:
1H-Imidazole, 4,4'-[1,2-ethanediylbis(thiomethylene)]bis[5-methyl- (9CI)
CAS Number:
100442-40-8
Molecular Formula:
C12H18N4S2
Molecular Weight:
282.4281
IUPAC Name:
5-methyl-4-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylsulfanylmethyl]-1H-imidazole
InChI:
InChI=1S/C12H18N4S2/c1-9-11(15-7-13-9)5-17-3-4-18-6-12-10(2)14-8-16-12/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChI Key:
YYECZKSABQIMFU-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1CSCCSCc1nc[nH]c1C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.424g/mol
Monoisotopic Mass:
282.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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