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92535-74-5 | 1H-Imidazole-4-carbodithioic acid, 2-ethyl-, 2-oxo-2-phenylethyl ester
CAS No: 92535-74-5 Catalog No: AG0064HP MDL No:
Product Description
Catalog Number:
AG0064HP
Chemical Name:
1H-Imidazole-4-carbodithioic acid, 2-ethyl-, 2-oxo-2-phenylethyl ester
CAS Number:
92535-74-5
Molecular Formula:
C14H14N2OS2
Molecular Weight:
290.4038
IUPAC Name:
phenacyl 2-ethyl-1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C14H14N2OS2/c1-2-13-15-8-11(16-13)14(18)19-9-12(17)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,16)
InChI Key:
IEQXWMAVTIUZKU-UHFFFAOYSA-N
SMILES:
CCc1[nH]cc(n1)C(=S)SCC(=O)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.399g/mol
Monoisotopic Mass:
290.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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