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Home > Imidazoles > 89273-05-2
89273-05-2 | 1H-Imidazole-4-carbodithioic acid, 2-phenyl-, phenylmethyl ester
CAS No: 89273-05-2 Catalog No: AG00416Z MDL No:
Product Description
Catalog Number:
AG00416Z
Chemical Name:
1H-Imidazole-4-carbodithioic acid, 2-phenyl-, phenylmethyl ester
CAS Number:
89273-05-2
Molecular Formula:
C17H14N2S2
Molecular Weight:
310.4365
IUPAC Name:
benzyl 2-phenyl-1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C17H14N2S2/c20-17(21-12-13-7-3-1-4-8-13)15-11-18-16(19-15)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19)
InChI Key:
GBIZUZUHJPUQTJ-UHFFFAOYSA-N
SMILES:
S=C(c1c[nH]c(n1)c1ccccc1)SCc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.433g/mol
Monoisotopic Mass:
310.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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