1,5-bis(phenylsulfanyl)pentan-3-one

C17H18OS2 — CID 14244732

IUPAC1,5-bis(phenylsulfanyl)pentan-3-one
SMILESO=C(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C17H18OS2/c18-15(11-13-19-16-7-3-1-4-8-16)12-14-20-17-9-5-2-6-10-17/h1-10H,11-14H2
InChIKeyYJXKZYFWVKKSNN-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.92
Rot. Bonds8

About 1,5-bis(phenylsulfanyl)pentan-3-one

1,5-bis(phenylsulfanyl)pentan-3-one (PubChem CID 14244732) has the molecular formula C17H18OS2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1,5-bis(phenylsulfanyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(phenylsulfanyl)pentan-3-one
PubChem CID14244732
Molecular FormulaC17H18OS2
Molecular Weight302.46 g/mol
Exact Mass302.08
IUPAC Name1,5-bis(phenylsulfanyl)pentan-3-one
SMILESO=C(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C17H18OS2/c18-15(11-13-19-16-7-3-1-4-8-16)12-14-20-17-9-5-2-6-10-17/h1-10H,11-14H2
InChIKeyYJXKZYFWVKKSNN-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-4-phenylsulfanylbutan-2-one
CID 175351953
1-diethoxyphosphoryl-4-phenylsulfanylbutan-2-one
CID 10860046
11-phenylsulfanylundecanoic acid
CID 4109674
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
N'-acetyl-3-phenylsulfanylpropanehydrazide
CID 30905937
2-(3-phenylsulfanylpropanoyl)indene-1,3-dione
CID 14922311
N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
2-(2-phenylsulfanylethylsulfanyl)acetic acid
CID 61031331
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(phenylsulfanyl)pentan-3-one?
The IUPAC name of 1,5-bis(phenylsulfanyl)pentan-3-one (CID 14244732) is 1,5-bis(phenylsulfanyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(phenylsulfanyl)pentan-3-one?
The canonical SMILES for 1,5-bis(phenylsulfanyl)pentan-3-one is O=C(CCSc1ccccc1)CCSc1ccccc1.
What is the InChIKey of 1,5-bis(phenylsulfanyl)pentan-3-one?
The InChIKey is YJXKZYFWVKKSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS2/c18-15(11-13-19-16-7-3-1-4-8-16)12-14-20-17-9-5-2-6-10-17/h1-10H,11-14H2.
What are the key properties of 1,5-bis(phenylsulfanyl)pentan-3-one?
1,5-bis(phenylsulfanyl)pentan-3-one has a molecular weight of 302.46 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(phenylsulfanyl)pentan-3-one is sourced from PubChem (CID 14244732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).