2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol

C8H12O3S — CID 71398135

IUPAC2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol
SMILESCOc1ccc(CSCCO)o1
InChIInChI=1S/C8H12O3S/c1-10-8-3-2-7(11-8)6-12-5-4-9/h2-3,9H,4-6H2,1H3
InChIKeyJEVGSQBIMDRVSK-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.51
Rot. Bonds5

About 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol

2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol (PubChem CID 71398135) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol
PubChem CID71398135
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol
SMILESCOc1ccc(CSCCO)o1
InChIInChI=1S/C8H12O3S/c1-10-8-3-2-7(11-8)6-12-5-4-9/h2-3,9H,4-6H2,1H3
InChIKeyJEVGSQBIMDRVSK-UHFFFAOYSA-N
XLogP1.51
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol (CID 71398135) is 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol is COc1ccc(CSCCO)o1.
What is the InChIKey of 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol?
The InChIKey is JEVGSQBIMDRVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c1-10-8-3-2-7(11-8)6-12-5-4-9/h2-3,9H,4-6H2,1H3.
What are the key properties of 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol?
2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol has a molecular weight of 188.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxyfuran-2-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 71398135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).