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13953-95-2 | 1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-
CAS No: 13953-95-2 Catalog No: AG001B7Q MDL No:
Product Description
Catalog Number:
AG001B7Q
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 2,3-dihydro-2-thioxo-
CAS Number:
13953-95-2
Molecular Formula:
C4H4N2OS
Molecular Weight:
128.1524
IUPAC Name:
2-sulfanylidene-1,3-dihydroimidazole-4-carbaldehyde
InChI:
InChI=1S/C4H4N2OS/c7-2-3-1-5-4(8)6-3/h1-2H,(H2,5,6,8)
InChI Key:
QSSPISQBGDMEQS-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(=S)[nH]1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.149g/mol
Monoisotopic Mass:
128.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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