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2349-59-9 | 2H-Imidazole-2-thione, 1,3-dihydro-1,4,5-triphenyl-
CAS No: 2349-59-9 Catalog No: AG002NE7 MDL No:MFCD02904622
Product Description
Catalog Number:
AG002NE7
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1,4,5-triphenyl-
CAS Number:
2349-59-9
Molecular Formula:
C21H16N2S
Molecular Weight:
328.4301
MDL Number:
MFCD02904622
IUPAC Name:
3,4,5-triphenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C21H16N2S/c24-21-22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(21)18-14-8-3-9-15-18/h1-15H,(H,22,24)
InChI Key:
RBUNNVGISZJUIO-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.433g/mol
Monoisotopic Mass:
328.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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