1-[1-(furan-2-yl)ethenoxy]ethenethiol

C8H8O2S — CID 144631375

IUPAC1-[1-(furan-2-yl)ethenoxy]ethenethiol
SMILESC=C(S)OC(=C)c1ccco1
InChIInChI=1S/C8H8O2S/c1-6(10-7(2)11)8-4-3-5-9-8/h3-5,11H,1-2H2
InChIKeyDYNOCQCOUSGATH-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.67
Rot. Bonds3

About 1-[1-(furan-2-yl)ethenoxy]ethenethiol

1-[1-(furan-2-yl)ethenoxy]ethenethiol (PubChem CID 144631375) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethenoxy]ethenethiol.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethenoxy]ethenethiol
PubChem CID144631375
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name1-[1-(furan-2-yl)ethenoxy]ethenethiol
SMILESC=C(S)OC(=C)c1ccco1
InChIInChI=1S/C8H8O2S/c1-6(10-7(2)11)8-4-3-5-9-8/h3-5,11H,1-2H2
InChIKeyDYNOCQCOUSGATH-UHFFFAOYSA-N
XLogP2.67
TPSA22.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
2-hex-1-en-2-ylfuran
CID 91416997
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
3-(furan-2-yl)but-3-enoic acid
CID 117268805
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
furan-2-yl(phosphanyl)methanone
CID 151549332
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
sodium furan-2-carboxylate
CID 19205589
Se-(furan-2-carbonyl) furan-2-carboselenoate
CID 10967528

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethenoxy]ethenethiol?
The IUPAC name of 1-[1-(furan-2-yl)ethenoxy]ethenethiol (CID 144631375) is 1-[1-(furan-2-yl)ethenoxy]ethenethiol.
What is the SMILES notation for 1-[1-(furan-2-yl)ethenoxy]ethenethiol?
The canonical SMILES for 1-[1-(furan-2-yl)ethenoxy]ethenethiol is C=C(S)OC(=C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethenoxy]ethenethiol?
The InChIKey is DYNOCQCOUSGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c1-6(10-7(2)11)8-4-3-5-9-8/h3-5,11H,1-2H2.
What are the key properties of 1-[1-(furan-2-yl)ethenoxy]ethenethiol?
1-[1-(furan-2-yl)ethenoxy]ethenethiol has a molecular weight of 168.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethenoxy]ethenethiol is sourced from PubChem (CID 144631375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).