6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran

C13H16OS — CID 13171798

IUPAC6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran
SMILESCC1(C)C=C(Sc2ccccc2)CCO1
InChIInChI=1S/C13H16OS/c1-13(2)10-12(8-9-14-13)15-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyXWEBLEHBNKFSBS-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.86
Rot. Bonds2

About 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran

6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran (PubChem CID 13171798) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran
PubChem CID13171798
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran
SMILESCC1(C)C=C(Sc2ccccc2)CCO1
InChIInChI=1S/C13H16OS/c1-13(2)10-12(8-9-14-13)15-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyXWEBLEHBNKFSBS-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
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[(E)-4-methoxybut-2-enyl]sulfanylbenzene
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1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate
CID 373326
1-Fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propylsulfanyl]benzene
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5-Ethenyl-6-fluoro-6-methoxy-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628606
5-Ethenyl-6-ethoxy-6-fluoro-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628612
1-Fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene
CID 150256500
2-[2,2-Difluoro-2-(4-fluorophenyl)sulfanylethyl]-2,4-dimethylpyran
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2-(1-Phenylsulfanylethenyl)oxirane
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1-(1-Methoxycyclohexyl)ethenylsulfanylbenzene
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(2-Methyl-3-phenylsulfanylbut-3-en-2-yl) acetate
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran?
The IUPAC name of 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran (CID 13171798) is 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran.
What is the SMILES notation for 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran?
The canonical SMILES for 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran is CC1(C)C=C(Sc2ccccc2)CCO1.
What is the InChIKey of 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran?
The InChIKey is XWEBLEHBNKFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-13(2)10-12(8-9-14-13)15-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran?
6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran has a molecular weight of 220.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-phenylsulfanyl-2,3-dihydropyran is sourced from PubChem (CID 13171798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).