4-ethylsulfanyl-2-methylfuran

C7H10OS — CID 119089094

IUPAC4-ethylsulfanyl-2-methylfuran
SMILESCCSc1coc(C)c1
InChIInChI=1S/C7H10OS/c1-3-9-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3
InChIKeyJFANYCVZEPYOMQ-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.70
Rot. Bonds2

About 4-ethylsulfanyl-2-methylfuran

4-ethylsulfanyl-2-methylfuran (PubChem CID 119089094) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methylfuran.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methylfuran
PubChem CID119089094
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name4-ethylsulfanyl-2-methylfuran
SMILESCCSc1coc(C)c1
InChIInChI=1S/C7H10OS/c1-3-9-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3
InChIKeyJFANYCVZEPYOMQ-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 4-ethylsulfanyl-2-methylfuran?
The IUPAC name of 4-ethylsulfanyl-2-methylfuran (CID 119089094) is 4-ethylsulfanyl-2-methylfuran.
What is the SMILES notation for 4-ethylsulfanyl-2-methylfuran?
The canonical SMILES for 4-ethylsulfanyl-2-methylfuran is CCSc1coc(C)c1.
What is the InChIKey of 4-ethylsulfanyl-2-methylfuran?
The InChIKey is JFANYCVZEPYOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-3-9-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-methylfuran?
4-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 4-ethylsulfanyl-2-methylfuran is sourced from PubChem (CID 119089094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).