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Home > Imidazoles > 84824-78-2
84824-78-2 | 1H-Imidazole-5-carbodithioicacid, 2-ethyl-
CAS No: 84824-78-2 Catalog No: AG004NEP MDL No:
Product Description
Catalog Number:
AG004NEP
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2-ethyl-
CAS Number:
84824-78-2
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
2-ethyl-1H-imidazole-5-carbodithioic acid
InChI:
InChI=1S/C6H8N2S2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key:
QLTXPYPAYKMBTK-UHFFFAOYSA-N
SMILES:
CCc1ncc([nH]1)C(=S)S
EC Number:
284-229-3
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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