1,3-bis(phenylsulfanyl)propan-2-one

C15H14OS2 — CID 2320201

IUPAC1,3-bis(phenylsulfanyl)propan-2-one
SMILESO=C(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H14OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyABISMPXQXBJJIN-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.14
Rot. Bonds6

About 1,3-bis(phenylsulfanyl)propan-2-one

1,3-bis(phenylsulfanyl)propan-2-one (PubChem CID 2320201) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1,3-bis(phenylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(phenylsulfanyl)propan-2-one
PubChem CID2320201
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name1,3-bis(phenylsulfanyl)propan-2-one
SMILESO=C(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H14OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyABISMPXQXBJJIN-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenyl sulfide
CID 8766
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
1,1,1-Trifluoro-3-(phenylsulfanyl)propan-2-one
CID 13537623
Ethanethioic acid, S-phenyl ester
CID 13630
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
2-Propanone, 1,3-bis((4-chlorophenyl)thio)-
CID 3044751
2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione
CID 86928
3-Phenylthiopropan-2-one
CID 247129
(4-Fluorophenylthio)propan-2-one
CID 2737496
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
S~1~,S~6~-Diphenyl hexanebis(thioate)
CID 223603
Phenylsulfonylacetone
CID 735827

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylsulfanyl)propan-2-one?
The IUPAC name of 1,3-bis(phenylsulfanyl)propan-2-one (CID 2320201) is 1,3-bis(phenylsulfanyl)propan-2-one.
What is the SMILES notation for 1,3-bis(phenylsulfanyl)propan-2-one?
The canonical SMILES for 1,3-bis(phenylsulfanyl)propan-2-one is O=C(CSc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1,3-bis(phenylsulfanyl)propan-2-one?
The InChIKey is ABISMPXQXBJJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10H,11-12H2.
What are the key properties of 1,3-bis(phenylsulfanyl)propan-2-one?
1,3-bis(phenylsulfanyl)propan-2-one has a molecular weight of 274.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylsulfanyl)propan-2-one is sourced from PubChem (CID 2320201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).