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Home > Indoles and Oxindole > 330658-04-3
330658-04-3 | 5,8-EPITHIOINDOLIZINE
CAS No: 330658-04-3 Catalog No: AG007HGA MDL No:
Product Description
Catalog Number:
AG007HGA
Chemical Name:
5,8-EPITHIOINDOLIZINE
CAS Number:
330658-04-3
Molecular Formula:
C8H5NS
Molecular Weight:
147.1970
IUPAC Name:
10-thia-2-azatricyclo[5.2.1.02,6]deca-1(9),3,5,7-tetraene
InChI:
InChI=1S/C8H5NS/c1-2-6-7-3-4-8(10-7)9(6)5-1/h1-5H
InChI Key:
HQFZYJIRDYBCDB-UHFFFAOYSA-N
SMILES:
c1cc2n(c1)c1sc2cc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.195g/mol
Monoisotopic Mass:
147.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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