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Home > Imidazoles > 820964-11-2
820964-11-2 | 1H-Pyrrolo[1,2-c]imidazol-1-one, 2-ethyl-2,3-dihydro-3-thioxo-
CAS No: 820964-11-2 Catalog No: AG008K1G MDL No:
Product Description
Catalog Number:
AG008K1G
Chemical Name:
1H-Pyrrolo[1,2-c]imidazol-1-one, 2-ethyl-2,3-dihydro-3-thioxo-
CAS Number:
820964-11-2
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
2-ethyl-3-sulfanylidenepyrrolo[1,2-c]imidazol-1-one
InChI:
InChI=1S/C8H8N2OS/c1-2-9-7(11)6-4-3-5-10(6)8(9)12/h3-5H,2H2,1H3
InChI Key:
SUZAGCKVYDJMHN-UHFFFAOYSA-N
SMILES:
CCn1c(=S)n2c(c1=O)ccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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