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147713-31-3 | 1H-Naphtho[2,1-b]thiopyran-1-one, 2,3-dihydro-3,3-dimethyl-
CAS No: 147713-31-3 Catalog No: AG001F4D MDL No:
Product Description
Catalog Number:
AG001F4D
Chemical Name:
1H-Naphtho[2,1-b]thiopyran-1-one, 2,3-dihydro-3,3-dimethyl-
CAS Number:
147713-31-3
Molecular Formula:
C15H14OS
Molecular Weight:
242.3361
IUPAC Name:
3,3-dimethyl-2H-benzo[f]thiochromen-1-one
InChI:
InChI=1S/C15H14OS/c1-15(2)9-12(16)14-11-6-4-3-5-10(11)7-8-13(14)17-15/h3-8H,9H2,1-2H3
InChI Key:
PYVINFAYQSWPAK-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Sc2c1c1ccccc1cc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.336g/mol
Monoisotopic Mass:
242.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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