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Home > Pyridines > 180028-51-7
180028-51-7 | 4,7-Methano-2H-[1,2,5]thiadiazolo[2,3-a]pyridine (9CI)
CAS No: 180028-51-7 Catalog No: AG0021NB MDL No:
Product Description
Catalog Number:
AG0021NB
Chemical Name:
4,7-Methano-2H-[1,2,5]thiadiazolo[2,3-a]pyridine (9CI)
CAS Number:
180028-51-7
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
IUPAC Name:
3-thia-2,4-diazatricyclo[5.2.1.02,6]deca-1(9),5,7-triene
InChI:
InChI=1S/C7H6N2S/c1-2-6-3-5(1)7-4-8-10-9(6)7/h1-2,4,8H,3H2
InChI Key:
VRKXQQIFBROMTO-UHFFFAOYSA-N
SMILES:
[nH]1cc2n(s1)c1Cc2cc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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