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145555-80-2 | 7aH-Thiazolo[3,2-d]-1,2,4-oxadiazole (9CI)
CAS No: 145555-80-2 Catalog No: AG001D5Y MDL No:
Product Description
Catalog Number:
AG001D5Y
Chemical Name:
7aH-Thiazolo[3,2-d]-1,2,4-oxadiazole (9CI)
CAS Number:
145555-80-2
Molecular Formula:
C4H4N2OS
Molecular Weight:
128.1524
IUPAC Name:
7aH-[1,3]thiazolo[3,2-d][1,2,4]oxadiazole
InChI:
InChI=1S/C4H4N2OS/c1-2-8-4-6(1)3-5-7-4/h1-4H
InChI Key:
DKQIGGIDUOLVCN-UHFFFAOYSA-N
SMILES:
C1=CN2C(S1)ON=C2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.149g/mol
Monoisotopic Mass:
128.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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