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210301-74-9 | [1,2,5]Oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dithione
CAS No: 210301-74-9 Catalog No: AG002KOA MDL No:
Product Description
Catalog Number:
AG002KOA
Chemical Name:
[1,2,5]Oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dithione
CAS Number:
210301-74-9
Molecular Formula:
C4H2N4OS2
Molecular Weight:
186.2149
IUPAC Name:
4,7-dihydro-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-dithione
InChI:
InChI=1S/C4H2N4OS2/c10-3-4(11)6-2-1(5-3)7-9-8-2/h(H,5,7,10)(H,6,8,11)
InChI Key:
BGTOLPFAOVDQKE-UHFFFAOYSA-N
SMILES:
S=C1N=C2NONC2=NC1=S
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.967g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
185.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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