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84255-39-0 | 1H-Imidazole-5-carbodithioicacid, 2-phenyl-
CAS No: 84255-39-0 Catalog No: AG004YQ3 MDL No:
Product Description
Catalog Number:
AG004YQ3
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2-phenyl-
CAS Number:
84255-39-0
Molecular Formula:
C10H8N2S2
Molecular Weight:
220.3139
IUPAC Name:
2-phenyl-1H-imidazole-5-carbodithioic acid
InChI:
InChI=1S/C10H8N2S2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key:
BPFXGDCUBZBEQF-UHFFFAOYSA-N
SMILES:
SC(=S)c1cnc([nH]1)c1ccccc1
EC Number:
282-588-0
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.308g/mol
Monoisotopic Mass:
220.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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