ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one

C15H18OS2 — CID 91591273

IUPACethane;2-ethylsulfanyl-6-phenylthiopyran-4-one
SMILESCC.CCSc1cc(=O)cc(-c2ccccc2)s1
InChIInChI=1S/C13H12OS2.C2H6/c1-2-15-13-9-11(14)8-12(16-13)10-6-4-3-5-7-10;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyUPDWTGDEUCJCFF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.91
Rot. Bonds3

About ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one

ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one (PubChem CID 91591273) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one.

Molecular Properties

Compound Nameethane;2-ethylsulfanyl-6-phenylthiopyran-4-one
PubChem CID91591273
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Nameethane;2-ethylsulfanyl-6-phenylthiopyran-4-one
SMILESCC.CCSc1cc(=O)cc(-c2ccccc2)s1
InChIInChI=1S/C13H12OS2.C2H6/c1-2-15-13-9-11(14)8-12(16-13)10-6-4-3-5-7-10;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyUPDWTGDEUCJCFF-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one?
The IUPAC name of ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one (CID 91591273) is ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one.
What is the SMILES notation for ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one?
The canonical SMILES for ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one is CC.CCSc1cc(=O)cc(-c2ccccc2)s1.
What is the InChIKey of ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one?
The InChIKey is UPDWTGDEUCJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS2.C2H6/c1-2-15-13-9-11(14)8-12(16-13)10-6-4-3-5-7-10;1-2/h3-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one?
ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one has a molecular weight of 278.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylsulfanyl-6-phenylthiopyran-4-one is sourced from PubChem (CID 91591273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).