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Home > Imidazoles > 90173-95-8
90173-95-8 | 1H-Imidazole-5-carbodithioic acid, 1-(2-hydroxyethyl)-2-phenyl-
CAS No: 90173-95-8 Catalog No: AG006HLN MDL No:
Product Description
Catalog Number:
AG006HLN
Chemical Name:
1H-Imidazole-5-carbodithioic acid, 1-(2-hydroxyethyl)-2-phenyl-
CAS Number:
90173-95-8
Molecular Formula:
C12H12N2OS2
Molecular Weight:
264.3665
IUPAC Name:
3-(2-hydroxyethyl)-2-phenylimidazole-4-carbodithioic acid
InChI:
InChI=1S/C12H12N2OS2/c15-7-6-14-10(12(16)17)8-13-11(14)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,16,17)
InChI Key:
WUDOGMYKERDFMC-UHFFFAOYSA-N
SMILES:
OCCn1c(ncc1C(=S)S)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.361g/mol
Monoisotopic Mass:
264.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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