4-butyl-4-phenylsulfanyl-2,3-dihydropyran

C15H20OS — CID 24741288

IUPAC4-butyl-4-phenylsulfanyl-2,3-dihydropyran
SMILESCCCCC1(Sc2ccccc2)C=COCC1
InChIInChI=1S/C15H20OS/c1-2-3-9-15(10-12-16-13-11-15)17-14-7-5-4-6-8-14/h4-8,10,12H,2-3,9,11,13H2,1H3
InChIKeyKBWZTTZYYKWMIY-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.64
Rot. Bonds5

About 4-butyl-4-phenylsulfanyl-2,3-dihydropyran

4-butyl-4-phenylsulfanyl-2,3-dihydropyran (PubChem CID 24741288) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-butyl-4-phenylsulfanyl-2,3-dihydropyran.

Molecular Properties

Compound Name4-butyl-4-phenylsulfanyl-2,3-dihydropyran
PubChem CID24741288
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name4-butyl-4-phenylsulfanyl-2,3-dihydropyran
SMILESCCCCC1(Sc2ccccc2)C=COCC1
InChIInChI=1S/C15H20OS/c1-2-3-9-15(10-12-16-13-11-15)17-14-7-5-4-6-8-14/h4-8,10,12H,2-3,9,11,13H2,1H3
InChIKeyKBWZTTZYYKWMIY-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
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CID 10632742
[(E)-1-methoxy-2-phenylprop-1-enyl]sulfanylbenzene
CID 13183922
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
[(1-Methoxynonyl)sulfanyl]benzene
CID 9993101
2-(4-Methylphenyl)sulfanyloxane
CID 10104512
4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361777
2-Methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 10538407
(2R)-2-[(2R)-2-methyl-4-phenylsulfanylbutyl]oxirane
CID 11276103
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
6-phenylsulfanyl-3,4-dihydro-2H-pyran
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1-(1-Methoxycyclohexyl)ethenylsulfanylbenzene
CID 11673221

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-phenylsulfanyl-2,3-dihydropyran?
The IUPAC name of 4-butyl-4-phenylsulfanyl-2,3-dihydropyran (CID 24741288) is 4-butyl-4-phenylsulfanyl-2,3-dihydropyran.
What is the SMILES notation for 4-butyl-4-phenylsulfanyl-2,3-dihydropyran?
The canonical SMILES for 4-butyl-4-phenylsulfanyl-2,3-dihydropyran is CCCCC1(Sc2ccccc2)C=COCC1.
What is the InChIKey of 4-butyl-4-phenylsulfanyl-2,3-dihydropyran?
The InChIKey is KBWZTTZYYKWMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-2-3-9-15(10-12-16-13-11-15)17-14-7-5-4-6-8-14/h4-8,10,12H,2-3,9,11,13H2,1H3.
What are the key properties of 4-butyl-4-phenylsulfanyl-2,3-dihydropyran?
4-butyl-4-phenylsulfanyl-2,3-dihydropyran has a molecular weight of 248.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-phenylsulfanyl-2,3-dihydropyran is sourced from PubChem (CID 24741288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).