2-ethylsulfanylfuran

C6H8OS — CID 525400

IUPAC2-ethylsulfanylfuran
SMILESCCSc1ccco1
InChIInChI=1S/C6H8OS/c1-2-8-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKeyCGCOPLAFHQVQEL-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.39
Rot. Bonds2

About 2-ethylsulfanylfuran

2-ethylsulfanylfuran (PubChem CID 525400) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-ethylsulfanylfuran.

Molecular Properties

Compound Name2-ethylsulfanylfuran
PubChem CID525400
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name2-ethylsulfanylfuran
SMILESCCSc1ccco1
InChIInChI=1S/C6H8OS/c1-2-8-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKeyCGCOPLAFHQVQEL-UHFFFAOYSA-N
XLogP2.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylfuran?
The IUPAC name of 2-ethylsulfanylfuran (CID 525400) is 2-ethylsulfanylfuran.
What is the SMILES notation for 2-ethylsulfanylfuran?
The canonical SMILES for 2-ethylsulfanylfuran is CCSc1ccco1.
What is the InChIKey of 2-ethylsulfanylfuran?
The InChIKey is CGCOPLAFHQVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-8-6-4-3-5-7-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanylfuran?
2-ethylsulfanylfuran has a molecular weight of 128.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylfuran is sourced from PubChem (CID 525400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).