1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane

C12H17OPS — CID 143392601

IUPAC1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane
SMILESCC(P)c1ccc(SC2CCOC2)cc1
InChIInChI=1S/C12H17OPS/c1-9(14)10-2-4-11(5-3-10)15-12-6-7-13-8-12/h2-5,9,12H,6-8,14H2,1H3
InChIKeyBICPFGCTCATJRF-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.50
Rot. Bonds3

About 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane

1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane (PubChem CID 143392601) has the molecular formula C12H17OPS and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane.

Molecular Properties

Compound Name1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane
PubChem CID143392601
Molecular FormulaC12H17OPS
Molecular Weight240.31 g/mol
Exact Mass240.07
IUPAC Name1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane
SMILESCC(P)c1ccc(SC2CCOC2)cc1
InChIInChI=1S/C12H17OPS/c1-9(14)10-2-4-11(5-3-10)15-12-6-7-13-8-12/h2-5,9,12H,6-8,14H2,1H3
InChIKeyBICPFGCTCATJRF-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
2-(4-Methylphenyl)sulfanyloxane
CID 10104512
1-(2-Propoxyethylsulfanyl)-4-(trifluoromethyl)benzene
CID 23560315
1-[(Z)-1-[(3R,4S)-3,4-difluorocyclopentyl]prop-1-en-2-yl]-4-(2-methoxyethylsulfanyl)benzene
CID 68332256
2-[4-(Trifluoromethyl)phenyl]sulfanyloxolane
CID 121222703
2-(4-Methylphenyl)sulfanyloxolane
CID 10035534
1-(2-Ethoxyethylsulfanyl)-4-methylbenzene
CID 121217105
2-(4-Tert-butylphenyl)sulfanyloxane
CID 10083483
1-(2-Chloro-2-ethoxypropyl)sulfanyl-4-methylbenzene
CID 13379154
(3R)-3-(4-methylphenyl)sulfanylbutan-1-ol
CID 13638172
3-(p-Tolylthio)-2-chlorooxolane
CID 14224835
1-Ethoxy-2-p-tolylthioethene
CID 129809431

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane?
The IUPAC name of 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane (CID 143392601) is 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane.
What is the SMILES notation for 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane?
The canonical SMILES for 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane is CC(P)c1ccc(SC2CCOC2)cc1.
What is the InChIKey of 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane?
The InChIKey is BICPFGCTCATJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17OPS/c1-9(14)10-2-4-11(5-3-10)15-12-6-7-13-8-12/h2-5,9,12H,6-8,14H2,1H3.
What are the key properties of 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane?
1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane has a molecular weight of 240.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane is sourced from PubChem (CID 143392601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).