1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol

C7H12O2S — CID 102653802

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol
SMILESCSCC(O)C1=CCCO1
InChIInChI=1S/C7H12O2S/c1-10-5-6(8)7-3-2-4-9-7/h3,6,8H,2,4-5H2,1H3
InChIKeyJJFOLSICJUZMFF-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.01
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol

1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol (PubChem CID 102653802) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol
PubChem CID102653802
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol
SMILESCSCC(O)C1=CCCO1
InChIInChI=1S/C7H12O2S/c1-10-5-6(8)7-3-2-4-9-7/h3,6,8H,2,4-5H2,1H3
InChIKeyJJFOLSICJUZMFF-UHFFFAOYSA-N
XLogP1.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol (CID 102653802) is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol is CSCC(O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol?
The InChIKey is JJFOLSICJUZMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-10-5-6(8)7-3-2-4-9-7/h3,6,8H,2,4-5H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol?
1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol has a molecular weight of 160.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanol is sourced from PubChem (CID 102653802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).