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37500-25-7 | 1H-Pyrrolo[1,2-c]imidazol-1-one, 2,3-dihydro-3-thioxo-
CAS No: 37500-25-7 Catalog No: AG0079KS MDL No:
Product Description
Catalog Number:
AG0079KS
Chemical Name:
1H-Pyrrolo[1,2-c]imidazol-1-one, 2,3-dihydro-3-thioxo-
CAS Number:
37500-25-7
Molecular Formula:
C6H4N2OS
Molecular Weight:
152.1738
IUPAC Name:
3-sulfanylidenepyrrolo[1,2-c]imidazol-1-one
InChI:
InChI=1S/C6H4N2OS/c9-5-4-2-1-3-8(4)6(10)7-5/h1-3H,(H,7,9,10)
InChI Key:
VXNLLYCITHUSES-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)n2c1ccc2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.171g/mol
Monoisotopic Mass:
152.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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