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Home > Imidazoles > 85770-95-2
85770-95-2 | BIS(1H-BENZO[D]IMIDAZOL-2-YLTHIO)METHANE
CAS No: 85770-95-2 Catalog No: AG004XXU MDL No:
Product Description
Catalog Number:
AG004XXU
Chemical Name:
BIS(1H-BENZO[D]IMIDAZOL-2-YLTHIO)METHANE
CAS Number:
85770-95-2
Molecular Formula:
C15H12N4S2
Molecular Weight:
312.4126
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanylmethylsulfanyl)-1H-benzimidazole
InChI:
InChI=1S/C15H12N4S2/c1-2-6-11-10(5-1)16-14(17-11)20-9-21-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)(H,18,19)
InChI Key:
ZEQSOCQZFYINBK-UHFFFAOYSA-N
SMILES:
C(Sc1nc2c([nH]1)cccc2)Sc1nc2c([nH]1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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