1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one

C13H16O2S — CID 10060036

IUPAC1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)C1CCCO1
InChIInChI=1S/C13H16O2S/c14-12(13-7-4-9-15-13)8-10-16-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyFUSGXMOGQWXACL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.92
Rot. Bonds5

About 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one

1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one (PubChem CID 10060036) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one
PubChem CID10060036
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)C1CCCO1
InChIInChI=1S/C13H16O2S/c14-12(13-7-4-9-15-13)8-10-16-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyFUSGXMOGQWXACL-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Phenylsulfanyl-methyl)-tetrahydro-furan-2-one
CID 10976691
S-phenyl 5-(1,3-oxathiolan-2-yl)pentanethioate
CID 14247654
(2R)-2-[(1R)-1-phenylsulfanylpropyl]oxan-4-one
CID 134995765
Ethyl 3-(4-fluorophenyl)sulfanyl-2-oxohexanoate
CID 11572769
1-(2-Fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one
CID 66052664
1-(2-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-one
CID 66052669
1-(3-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-one
CID 66070193
1-(4-Fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one
CID 66070957
1-(4-Fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-one
CID 66071165
1-(3-Fluorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-one
CID 66071424
Ethyl 6-(4-fluorophenyl)sulfanyl-2-oxo-hexanoate
CID 137948472
Ethyl 6-(3-fluorophenyl)sulfanyl-2-oxo-hexanoate
CID 137948473

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one (CID 10060036) is 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one?
The InChIKey is FUSGXMOGQWXACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c14-12(13-7-4-9-15-13)8-10-16-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2.
What are the key properties of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one?
1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one has a molecular weight of 236.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 10060036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).