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6880-18-8 | SPIRO[1,3-DITHIOLANE-2,6'(5'H)- ISOQUINOLIN]-5'-ONE
CAS No: 6880-18-8 Catalog No: AG0061AM MDL No:
Product Description
Catalog Number:
AG0061AM
Chemical Name:
SPIRO[1,3-DITHIOLANE-2,6'(5'H)- ISOQUINOLIN]-5'-ONE
CAS Number:
6880-18-8
Molecular Formula:
C11H9NOS2
Molecular Weight:
235.3253
IUPAC Name:
spiro[1,3-dithiolane-2,6'-isoquinoline]-5'-one
InChI:
InChI=1S/C11H9NOS2/c13-10-9-2-4-12-7-8(9)1-3-11(10)14-5-6-15-11/h1-4,7H,5-6H2
InChI Key:
IJCZNBZLDZFJGI-UHFFFAOYSA-N
SMILES:
O=C1c2ccncc2C=CC21SCCS2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.319g/mol
Monoisotopic Mass:
235.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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