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89797-62-6 | [1,2,5]Thiadiazolo[3,4-d]pyrimidine-7(3H)-thione
CAS No: 89797-62-6 Catalog No: AG003ZDI MDL No:
Product Description
Catalog Number:
AG003ZDI
Chemical Name:
[1,2,5]Thiadiazolo[3,4-d]pyrimidine-7(3H)-thione
CAS Number:
89797-62-6
Molecular Formula:
C4H2N4S2
Molecular Weight:
170.2155
IUPAC Name:
4H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-7-thione
InChI:
InChI=1S/C4H2N4S2/c9-4-2-3(5-1-6-4)8-10-7-2/h1H,(H,5,6,8,9)
InChI Key:
AYQXBPKMHYDIKK-UHFFFAOYSA-N
SMILES:
S=c1ncnc2c1ns[nH]2
NSC Number:
45393
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.972g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
169.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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