1-(furan-2-yl)ethane-1,2-dithiol

C6H8OS2 — CID 123681652

IUPAC1-(furan-2-yl)ethane-1,2-dithiol
SMILESSCC(S)c1ccco1
InChIInChI=1S/C6H8OS2/c8-4-6(9)5-2-1-3-7-5/h1-3,6,8-9H,4H2
InChIKeyYAYVSDRHKZEWCL-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.18
Rot. Bonds2

About 1-(furan-2-yl)ethane-1,2-dithiol

1-(furan-2-yl)ethane-1,2-dithiol (PubChem CID 123681652) has the molecular formula C6H8OS2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(furan-2-yl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(furan-2-yl)ethane-1,2-dithiol
PubChem CID123681652
Molecular FormulaC6H8OS2
Molecular Weight160.26 g/mol
Exact Mass160.00
IUPAC Name1-(furan-2-yl)ethane-1,2-dithiol
SMILESSCC(S)c1ccco1
InChIInChI=1S/C6H8OS2/c8-4-6(9)5-2-1-3-7-5/h1-3,6,8-9H,4H2
InChIKeyYAYVSDRHKZEWCL-UHFFFAOYSA-N
XLogP2.18
TPSA13.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)ethane-1,2-dithiol 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

1-(furan-2-yl)propane-1-thiol
CID 62631809
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
2-(furan-2-yl)-2-sulfanylacetonitrile
CID 13409144
furan-2-ylmethanethiol
CID 158949317
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
2-amino-2-(furan-2-yl)ethanol
CID 54048773
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
furan-2-yl(pyrrol-1-yl)methanol
CID 11423762
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)ethane-1,2-dithiol?
The IUPAC name of 1-(furan-2-yl)ethane-1,2-dithiol (CID 123681652) is 1-(furan-2-yl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(furan-2-yl)ethane-1,2-dithiol?
The canonical SMILES for 1-(furan-2-yl)ethane-1,2-dithiol is SCC(S)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)ethane-1,2-dithiol?
The InChIKey is YAYVSDRHKZEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS2/c8-4-6(9)5-2-1-3-7-5/h1-3,6,8-9H,4H2.
What are the key properties of 1-(furan-2-yl)ethane-1,2-dithiol?
1-(furan-2-yl)ethane-1,2-dithiol has a molecular weight of 160.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)ethane-1,2-dithiol is sourced from PubChem (CID 123681652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).