3-ethylsulfanylfuran

C6H8OS — CID 173392282

IUPAC3-ethylsulfanylfuran
SMILESCCSc1ccoc1
InChIInChI=1S/C6H8OS/c1-2-8-6-3-4-7-5-6/h3-5H,2H2,1H3
InChIKeyQMHWPEDGMQKLLK-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.39
Rot. Bonds2

About 3-ethylsulfanylfuran

3-ethylsulfanylfuran (PubChem CID 173392282) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-ethylsulfanylfuran.

Molecular Properties

Compound Name3-ethylsulfanylfuran
PubChem CID173392282
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name3-ethylsulfanylfuran
SMILESCCSc1ccoc1
InChIInChI=1S/C6H8OS/c1-2-8-6-3-4-7-5-6/h3-5H,2H2,1H3
InChIKeyQMHWPEDGMQKLLK-UHFFFAOYSA-N
XLogP2.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanylfuran
CID 642099
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700
1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
4-ethylsulfanyl-2-methylfuran
CID 119089094
ethylsulfanylbenzene;dihydrochloride
CID 18353835
1-chloro-4-ethylsulfanylbenzene
CID 5324154
ethylsulfanylbenzene;zinc
CID 163508220
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
3-ethylfuran;methanol
CID 174626479
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
(4-ethylsulfanylphenyl)methanediamine
CID 116939199

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylfuran?
The IUPAC name of 3-ethylsulfanylfuran (CID 173392282) is 3-ethylsulfanylfuran.
What is the SMILES notation for 3-ethylsulfanylfuran?
The canonical SMILES for 3-ethylsulfanylfuran is CCSc1ccoc1.
What is the InChIKey of 3-ethylsulfanylfuran?
The InChIKey is QMHWPEDGMQKLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-8-6-3-4-7-5-6/h3-5H,2H2,1H3.
What are the key properties of 3-ethylsulfanylfuran?
3-ethylsulfanylfuran has a molecular weight of 128.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylfuran is sourced from PubChem (CID 173392282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).