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Home > Imidazoles > 75371-25-4
75371-25-4 | Imidazo[4,5-d]imidazol-2(1H)-one, hexahydro-5-thioxo-
CAS No: 75371-25-4 Catalog No: AG008QAY MDL No:
Product Description
Catalog Number:
AG008QAY
Chemical Name:
Imidazo[4,5-d]imidazol-2(1H)-one, hexahydro-5-thioxo-
CAS Number:
75371-25-4
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
IUPAC Name:
5-sulfanylidene-1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazol-2-one
InChI:
InChI=1S/C4H6N4OS/c9-3-5-1-2(6-3)8-4(10)7-1/h1-2H,(H2,5,6,9)(H2,7,8,10)
InChI Key:
GUPCSRQTWWHGMO-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)NC(=S)N2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| 8b,8c-Diphenyl-2,6-bis(4-pyridyl-meth-yl)-perhydro-2,3a,4a,6,7a,8a-hexa-aza-cyclo-penta-[def]fluorene-4,8-dithione chloro-form solvate. | Acta crystallographica. Section E, Structure reports online 20100701 |
| 3,6,14,17-Tetramethoxy-22,23-diphenyl-1,10,12,21-tetraazahexacyclo[19.2.1.0.0.0.0]tetracosa-2(7),3,5,13(18),14,16-hexaene-11,24-di-thione. | Acta crystallographica. Section E, Structure reports online 20100701 |
| 2,6-Bis(2-chloro-ethyl)-8b,8c-diphenyl-perhydro-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-4,8-dithione. | Acta crystallographica. Section E, Structure reports online 20090701 |
| 2,6-Bis(2-hydroxy-ethyl)-8b,8c-diphenyl-perhydro-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-4,8-dithione. | Acta crystallographica. Section E, Structure reports online 20090601 |
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