2-ethylsulfanyl-3-methoxy-2H-furan-5-one

C7H10O3S — CID 10058017

IUPAC2-ethylsulfanyl-3-methoxy-2H-furan-5-one
SMILESCCSC1OC(=O)C=C1OC
InChIInChI=1S/C7H10O3S/c1-3-11-7-5(9-2)4-6(8)10-7/h4,7H,3H2,1-2H3
InChIKeyRKUISKSEHYTNES-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.15
Rot. Bonds3

About 2-ethylsulfanyl-3-methoxy-2H-furan-5-one

2-ethylsulfanyl-3-methoxy-2H-furan-5-one (PubChem CID 10058017) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-methoxy-2H-furan-5-one
PubChem CID10058017
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name2-ethylsulfanyl-3-methoxy-2H-furan-5-one
SMILESCCSC1OC(=O)C=C1OC
InChIInChI=1S/C7H10O3S/c1-3-11-7-5(9-2)4-6(8)10-7/h4,7H,3H2,1-2H3
InChIKeyRKUISKSEHYTNES-UHFFFAOYSA-N
XLogP1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-ethylsulfanyl-3-methoxy-2H-furan-5-one (CID 10058017) is 2-ethylsulfanyl-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-ethylsulfanyl-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-ethylsulfanyl-3-methoxy-2H-furan-5-one is CCSC1OC(=O)C=C1OC.
What is the InChIKey of 2-ethylsulfanyl-3-methoxy-2H-furan-5-one?
The InChIKey is RKUISKSEHYTNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c1-3-11-7-5(9-2)4-6(8)10-7/h4,7H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-methoxy-2H-furan-5-one?
2-ethylsulfanyl-3-methoxy-2H-furan-5-one has a molecular weight of 174.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 10058017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).