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884648-00-4 | 1H-Benzimidazole-1-carbodithioic acid, 2-methyl-, phenylmethyl ester
CAS No: 884648-00-4 Catalog No: AG004CN6 MDL No:
Product Description
Catalog Number:
AG004CN6
Chemical Name:
1H-Benzimidazole-1-carbodithioic acid, 2-methyl-, phenylmethyl ester
CAS Number:
884648-00-4
Molecular Formula:
C16H14N2S2
Molecular Weight:
298.4258
IUPAC Name:
benzyl 2-methylbenzimidazole-1-carbodithioate
InChI:
InChI=1S/C16H14N2S2/c1-12-17-14-9-5-6-10-15(14)18(12)16(19)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI Key:
HAWYLUJNYOFRHI-UHFFFAOYSA-N
SMILES:
S=C(n1c(C)nc2c1cccc2)SCc1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.422g/mol
Monoisotopic Mass:
298.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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