2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan

C14H22O2S — CID 150048162

IUPAC2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan
SMILESCC1=CCC(C)(CSCC2(C)CC=C(C)O2)O1
InChIInChI=1S/C14H22O2S/c1-11-5-7-13(3,15-11)9-17-10-14(4)8-6-12(2)16-14/h5-6H,7-10H2,1-4H3
InChIKeyDKSOFZYRWXBFMA-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.89
Rot. Bonds4

About 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan

2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan (PubChem CID 150048162) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan.

Molecular Properties

Compound Name2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan
PubChem CID150048162
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan
SMILESCC1=CCC(C)(CSCC2(C)CC=C(C)O2)O1
InChIInChI=1S/C14H22O2S/c1-11-5-7-13(3,15-11)9-17-10-14(4)8-6-12(2)16-14/h5-6H,7-10H2,1-4H3
InChIKeyDKSOFZYRWXBFMA-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan?
The IUPAC name of 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan (CID 150048162) is 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan.
What is the SMILES notation for 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan?
The canonical SMILES for 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan is CC1=CCC(C)(CSCC2(C)CC=C(C)O2)O1.
What is the InChIKey of 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan?
The InChIKey is DKSOFZYRWXBFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-11-5-7-13(3,15-11)9-17-10-14(4)8-6-12(2)16-14/h5-6H,7-10H2,1-4H3.
What are the key properties of 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan?
2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan has a molecular weight of 254.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-3H-furan-2-yl)methylsulfanylmethyl]-2,5-dimethyl-3H-furan is sourced from PubChem (CID 150048162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).