2-(ethylsulfanylmethyl)-5-methylfuran

C8H12OS — CID 11819281

IUPAC2-(ethylsulfanylmethyl)-5-methylfuran
SMILESCCSCc1ccc(C)o1
InChIInChI=1S/C8H12OS/c1-3-10-6-8-5-4-7(2)9-8/h4-5H,3,6H2,1-2H3
InChIKeyZBOPNPPSOUKMBL-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.84
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-5-methylfuran

2-(ethylsulfanylmethyl)-5-methylfuran (PubChem CID 11819281) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-5-methylfuran.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-5-methylfuran
PubChem CID11819281
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-(ethylsulfanylmethyl)-5-methylfuran
SMILESCCSCc1ccc(C)o1
InChIInChI=1S/C8H12OS/c1-3-10-6-8-5-4-7(2)9-8/h4-5H,3,6H2,1-2H3
InChIKeyZBOPNPPSOUKMBL-UHFFFAOYSA-N
XLogP2.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-5-methylfuran?
The IUPAC name of 2-(ethylsulfanylmethyl)-5-methylfuran (CID 11819281) is 2-(ethylsulfanylmethyl)-5-methylfuran.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-5-methylfuran?
The canonical SMILES for 2-(ethylsulfanylmethyl)-5-methylfuran is CCSCc1ccc(C)o1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-5-methylfuran?
The InChIKey is ZBOPNPPSOUKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-3-10-6-8-5-4-7(2)9-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-(ethylsulfanylmethyl)-5-methylfuran?
2-(ethylsulfanylmethyl)-5-methylfuran has a molecular weight of 156.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-5-methylfuran is sourced from PubChem (CID 11819281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).