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Home > Imidazoles > 26558-04-3
26558-04-3 | 1H-Benzimidazole-4,7-dione, 5,6-bis(hexylthio)-
CAS No: 26558-04-3 Catalog No: AG002TP7 MDL No:
Product Description
Catalog Number:
AG002TP7
Chemical Name:
1H-Benzimidazole-4,7-dione, 5,6-bis(hexylthio)-
CAS Number:
26558-04-3
Molecular Formula:
C19H28N2O2S2
Molecular Weight:
380.5678
IUPAC Name:
5,6-bis(hexylsulfanyl)-1H-benzimidazole-4,7-dione
InChI:
InChI=1S/C19H28N2O2S2/c1-3-5-7-9-11-24-18-16(22)14-15(21-13-20-14)17(23)19(18)25-12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,20,21)
InChI Key:
IVYJIDSAAGTIOB-UHFFFAOYSA-N
SMILES:
CCCCCCSC1=C(SCCCCCC)C(=O)c2c(C1=O)[nH]cn2
NSC Number:
101611
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.565g/mol
Monoisotopic Mass:
380.159g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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