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732930-06-2 | 1H-Imidazole-1-carbodithioicacid
CAS No: 732930-06-2 Catalog No: AG005P76 MDL No:
Product Description
Catalog Number:
AG005P76
Chemical Name:
1H-Imidazole-1-carbodithioicacid
CAS Number:
732930-06-2
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
IUPAC Name:
imidazole-1-carbodithioic acid
InChI:
InChI=1S/C4H4N2S2/c7-4(8)6-2-1-5-3-6/h1-3H,(H,7,8)
InChI Key:
LUPOKCCFLASZEX-UHFFFAOYSA-N
SMILES:
SC(=S)n1cncc1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.982g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.21g/mol
Monoisotopic Mass:
143.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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