2-methylsulfanyl-1,3-diphenylpropan-1-one

C16H16OS — CID 10515251

IUPAC2-methylsulfanyl-1,3-diphenylpropan-1-one
SMILESCSC(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H16OS/c1-18-15(12-13-8-4-2-5-9-13)16(17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyNAYDIWTVZJELDZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.84
Rot. Bonds5

About 2-methylsulfanyl-1,3-diphenylpropan-1-one

2-methylsulfanyl-1,3-diphenylpropan-1-one (PubChem CID 10515251) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-diphenylpropan-1-one
PubChem CID10515251
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name2-methylsulfanyl-1,3-diphenylpropan-1-one
SMILESCSC(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H16OS/c1-18-15(12-13-8-4-2-5-9-13)16(17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyNAYDIWTVZJELDZ-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,3-diphenylpropan-1-one?
The IUPAC name of 2-methylsulfanyl-1,3-diphenylpropan-1-one (CID 10515251) is 2-methylsulfanyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2-methylsulfanyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 2-methylsulfanyl-1,3-diphenylpropan-1-one is CSC(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-1,3-diphenylpropan-1-one?
The InChIKey is NAYDIWTVZJELDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-18-15(12-13-8-4-2-5-9-13)16(17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 2-methylsulfanyl-1,3-diphenylpropan-1-one?
2-methylsulfanyl-1,3-diphenylpropan-1-one has a molecular weight of 256.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 10515251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).