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Home > Imidazoles > 89273-02-9
89273-02-9 | 1H-Imidazole-4-carbodithioic acid, 2-ethyl-, phenylmethyl ester
CAS No: 89273-02-9 Catalog No: AG00418N MDL No:
Product Description
Catalog Number:
AG00418N
Chemical Name:
1H-Imidazole-4-carbodithioic acid, 2-ethyl-, phenylmethyl ester
CAS Number:
89273-02-9
Molecular Formula:
C13H14N2S2
Molecular Weight:
262.3937
IUPAC Name:
benzyl 2-ethyl-1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C13H14N2S2/c1-2-12-14-8-11(15-12)13(16)17-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,15)
InChI Key:
IYVXBVOQMIXGNL-UHFFFAOYSA-N
SMILES:
CCc1[nH]cc(n1)C(=S)SCc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.389g/mol
Monoisotopic Mass:
262.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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