3-ethylsulfanyl-2-methylfuran

C7H10OS — CID 529746

IUPAC3-ethylsulfanyl-2-methylfuran
SMILESCCSc1ccoc1C
InChIInChI=1S/C7H10OS/c1-3-9-7-4-5-8-6(7)2/h4-5H,3H2,1-2H3
InChIKeyPHCQIWHGOFNKSP-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.70
Rot. Bonds2

About 3-ethylsulfanyl-2-methylfuran

3-ethylsulfanyl-2-methylfuran (PubChem CID 529746) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-methylfuran.

Molecular Properties

Compound Name3-ethylsulfanyl-2-methylfuran
PubChem CID529746
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3-ethylsulfanyl-2-methylfuran
SMILESCCSc1ccoc1C
InChIInChI=1S/C7H10OS/c1-3-9-7-4-5-8-6(7)2/h4-5H,3H2,1-2H3
InChIKeyPHCQIWHGOFNKSP-UHFFFAOYSA-N
XLogP2.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-methylfuran?
The IUPAC name of 3-ethylsulfanyl-2-methylfuran (CID 529746) is 3-ethylsulfanyl-2-methylfuran.
What is the SMILES notation for 3-ethylsulfanyl-2-methylfuran?
The canonical SMILES for 3-ethylsulfanyl-2-methylfuran is CCSc1ccoc1C.
What is the InChIKey of 3-ethylsulfanyl-2-methylfuran?
The InChIKey is PHCQIWHGOFNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-3-9-7-4-5-8-6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-2-methylfuran?
3-ethylsulfanyl-2-methylfuran has a molecular weight of 142.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-methylfuran is sourced from PubChem (CID 529746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).