4-ethylsulfanyl-2H-furan-5-one

C6H8O2S — CID 102597207

IUPAC4-ethylsulfanyl-2H-furan-5-one
SMILESCCSC1=CCOC1=O
InChIInChI=1S/C6H8O2S/c1-2-9-5-3-4-8-6(5)7/h3H,2,4H2,1H3
InChIKeySCSZMJZJBJPGBI-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.18
Rot. Bonds2

About 4-ethylsulfanyl-2H-furan-5-one

4-ethylsulfanyl-2H-furan-5-one (PubChem CID 102597207) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-ethylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name4-ethylsulfanyl-2H-furan-5-one
PubChem CID102597207
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name4-ethylsulfanyl-2H-furan-5-one
SMILESCCSC1=CCOC1=O
InChIInChI=1S/C6H8O2S/c1-2-9-5-3-4-8-6(5)7/h3H,2,4H2,1H3
InChIKeySCSZMJZJBJPGBI-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethylsulfanyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylthio)ethyl acrylate
CID 20973
2-(Ethylthio)ethyl acrylate
CID 27134
methyl (E)-4-methylsulfanylbut-2-enoate
CID 12349903
Methyl 2,5-dihydrothiophene-3-carboxylate
CID 11457755
3-(Methylsulfanyl)-2,5-dihydrofuran-2,5-dione
CID 21718668
ethyl (E)-3-(1,3-dithiolan-2-yl)prop-2-enoate
CID 73427396
ethyl (Z)-3-ethylsulfanyl-4,4,4-trifluorobut-2-enoate
CID 15259634
ethyl (E)-3-ethylsulfanyl-4,4,4-trifluorobut-2-enoate
CID 134932156
ethyl (E)-4-ethylsulfanyl-4-oxobut-2-enoate
CID 13198664
Ethyl 2,5-dihydrothiophene-3-carboxylate
CID 45090302
S-methyl thioethylacrylate
CID 22596663
dimethyl (E)-2-methylsulfanylbut-2-enedioate
CID 139245148

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2H-furan-5-one?
The IUPAC name of 4-ethylsulfanyl-2H-furan-5-one (CID 102597207) is 4-ethylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 4-ethylsulfanyl-2H-furan-5-one?
The canonical SMILES for 4-ethylsulfanyl-2H-furan-5-one is CCSC1=CCOC1=O.
What is the InChIKey of 4-ethylsulfanyl-2H-furan-5-one?
The InChIKey is SCSZMJZJBJPGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-2-9-5-3-4-8-6(5)7/h3H,2,4H2,1H3.
What are the key properties of 4-ethylsulfanyl-2H-furan-5-one?
4-ethylsulfanyl-2H-furan-5-one has a molecular weight of 144.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 102597207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).