2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan

C10H10O2S2 — CID 87172751

IUPAC2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan
SMILESCC(SS)(c1ccco1)c1ccco1
InChIInChI=1S/C10H10O2S2/c1-10(14-13,8-4-2-6-11-8)9-5-3-7-12-9/h2-7,13H,1H3
InChIKeyXEEXPLNAPKECAU-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.71
Rot. Bonds3

About 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan

2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan (PubChem CID 87172751) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan.

Molecular Properties

Compound Name2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan
PubChem CID87172751
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan
SMILESCC(SS)(c1ccco1)c1ccco1
InChIInChI=1S/C10H10O2S2/c1-10(14-13,8-4-2-6-11-8)9-5-3-7-12-9/h2-7,13H,1H3
InChIKeyXEEXPLNAPKECAU-UHFFFAOYSA-N
XLogP3.71
TPSA26.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan 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

CID 158971917
CID 158971917
2-(furan-2-yl)propan-2-amine;hydron;chloride
CID 146472064
tris(furan-2-yl)methylsilane
CID 71354015
bis(furan-2-yl)methanediamine
CID 175922439
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
2-[2-(furan-2-yl)propan-2-yl]-5-methylfuran
CID 14028609
2-cyclopropyl-2-(furan-2-yl)propanoic acid
CID 83828151
furan-2-yl-(2-methylfuran-3-yl)methanedithiol
CID 91988031
3-(furan-2-yl)-N,3-dimethylbutan-1-amine
CID 79830783
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
2-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168

Frequently Asked Questions

What is the IUPAC name of 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan?
The IUPAC name of 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan (CID 87172751) is 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan.
What is the SMILES notation for 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan?
The canonical SMILES for 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan is CC(SS)(c1ccco1)c1ccco1.
What is the InChIKey of 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan?
The InChIKey is XEEXPLNAPKECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-10(14-13,8-4-2-6-11-8)9-5-3-7-12-9/h2-7,13H,1H3.
What are the key properties of 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan?
2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan has a molecular weight of 226.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(disulfanyl)-1-(furan-2-yl)ethyl]furan is sourced from PubChem (CID 87172751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).