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Home > Other Heterocycles > 89767-86-2
89767-86-2 | 6-Thiabicyclo[9.3.1]pentadeca-1(15),11,13-triene-4,8-dione
CAS No: 89767-86-2 Catalog No: AG0040J1 MDL No:
Product Description
Catalog Number:
AG0040J1
Chemical Name:
6-Thiabicyclo[9.3.1]pentadeca-1(15),11,13-triene-4,8-dione
CAS Number:
89767-86-2
Molecular Formula:
C14H16O2S
Molecular Weight:
248.3406
IUPAC Name:
6-thiabicyclo[9.3.1]pentadeca-1(15),11,13-triene-4,8-dione
InChI:
InChI=1S/C14H16O2S/c15-13-6-4-11-2-1-3-12(8-11)5-7-14(16)10-17-9-13/h1-3,8H,4-7,9-10H2
InChI Key:
IBPCJXPXLFPYRQ-UHFFFAOYSA-N
SMILES:
O=C1CSCC(=O)CCc2cc(CC1)ccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.34g/mol
Monoisotopic Mass:
248.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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