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Home > Imidazoles > 64492-87-1
64492-87-1 | 1H-Pyrrolo[1,2-c]imidazole-1,5(6H)-dione,tetrahydro-3-thioxo-,(S)-(9CI)
CAS No: 64492-87-1 Catalog No: AG00EY2M MDL No:
Product Description
Catalog Number:
AG00EY2M
Chemical Name:
1H-Pyrrolo[1,2-c]imidazole-1,5(6H)-dione,tetrahydro-3-thioxo-,(S)-(9CI)
CAS Number:
64492-87-1
IUPAC Name:
(7aS)-3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione
InChI:
InChI=1S/C6H6N2O2S/c9-4-2-1-3-5(10)7-6(11)8(3)4/h3H,1-2H2,(H,7,10,11)/t3-/m0/s1
InChI Key:
BCIFEPDUHRNYRJ-VKHMYHEASA-N
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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