2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran

C12H14OS — CID 10845967

IUPAC2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran
SMILESCC1=C(Sc2ccccc2)CC(C)O1
InChIInChI=1S/C12H14OS/c1-9-8-12(10(2)13-9)14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyCLAFTWCNRHMGOF-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.82
Rot. Bonds2

About 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran

2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran (PubChem CID 10845967) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran.

Molecular Properties

Compound Name2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran
PubChem CID10845967
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran
SMILESCC1=C(Sc2ccccc2)CC(C)O1
InChIInChI=1S/C12H14OS/c1-9-8-12(10(2)13-9)14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyCLAFTWCNRHMGOF-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
2-(Phenylthio)tetrahydrofuran
CID 361776
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10800553
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
1-Butoxy-2-phenylmercaptoethane
CID 271491
(s)-3-Phenylthio-2-propanol
CID 10855897
4-(Benzenesulfonyl)-2,3-dihydrofuran
CID 10899873
[(E)-3-phenylsulfanylbut-2-en-2-yl] acetate
CID 14435298
[(1E,3E)-4-methoxybuta-1,3-dienyl]sulfanylbenzene
CID 14890215
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
[(E)-1-methoxypent-1-enyl]sulfanylbenzene
CID 134921401

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran?
The IUPAC name of 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran (CID 10845967) is 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran.
What is the SMILES notation for 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran?
The canonical SMILES for 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran is CC1=C(Sc2ccccc2)CC(C)O1.
What is the InChIKey of 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran?
The InChIKey is CLAFTWCNRHMGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-9-8-12(10(2)13-9)14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran?
2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran has a molecular weight of 206.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenylsulfanyl-2,3-dihydrofuran is sourced from PubChem (CID 10845967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).