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88084-55-3 | 5,9-Methanothiazolo[4,5-d]azocine(9CI)
CAS No: 88084-55-3 Catalog No: AG004HNK MDL No:
Product Description
Catalog Number:
AG004HNK
Chemical Name:
5,9-Methanothiazolo[4,5-d]azocine(9CI)
CAS Number:
88084-55-3
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
3-thia-5,9-diazatricyclo[6.3.1.02,6]dodeca-1,4,6,8,10-pentaene
InChI:
InChI=1S/C9H6N2S/c1-2-10-7-3-6(1)9-8(4-7)11-5-12-9/h1-2,4-5H,3H2
InChI Key:
CGGVGOKYUNWFBX-UHFFFAOYSA-N
SMILES:
C1=NC2=Cc3c(C(=C1)C2)scn3
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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