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174451-50-4 | [1,4]Dithiino[2,3-c][1,2,5]oxadiazole (9CI)
CAS No: 174451-50-4 Catalog No: AG001ZOA MDL No:
Product Description
Catalog Number:
AG001ZOA
Chemical Name:
[1,4]Dithiino[2,3-c][1,2,5]oxadiazole (9CI)
CAS Number:
174451-50-4
Molecular Formula:
C4H2N2OS2
Molecular Weight:
158.2015
IUPAC Name:
[1,4]dithiino[2,3-c][1,2,5]oxadiazole
InChI:
InChI=1S/C4H2N2OS2/c1-2-9-4-3(8-1)5-7-6-4/h1-2H
InChI Key:
DMVLODIMNCWSPO-UHFFFAOYSA-N
SMILES:
C1=CSc2c(S1)non2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.961g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.193g/mol
Monoisotopic Mass:
157.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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