furan-3-thiol

C4H4OS — CID 529393

IUPACfuran-3-thiol
SMILESSc1ccoc1
InChIInChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-3,6H
InChIKeyMWFFRFMPYAKXEY-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.57
Rot. Bonds

About furan-3-thiol

furan-3-thiol (PubChem CID 529393) has the molecular formula C4H4OS and a molecular weight of 100.14 g/mol. Its IUPAC name is furan-3-thiol.

Molecular Properties

Compound Namefuran-3-thiol
PubChem CID529393
Molecular FormulaC4H4OS
Molecular Weight100.14 g/mol
Exact Mass100.00
IUPAC Namefuran-3-thiol
SMILESSc1ccoc1
InChIInChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-3,6H
InChIKeyMWFFRFMPYAKXEY-UHFFFAOYSA-N
XLogP1.57
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Furan
CID 8029
Furan-2-sulfonamide
CID 13668256
2-Furylmercury chloride
CID 22131
2-Iodofuran
CID 11564629
Furan-d4
CID 2733420
Furan, 2-(methylthio)-
CID 139389
Furan, 3-iodo-
CID 141464
3-Fluorofuran
CID 14786534
Furan-3-sulfonamide
CID 22179283
(3-Furanyl)sulfur pentafluoride
CID 57355813
2-Furanthiol
CID 83164
2-Ethylthiofuran
CID 525400

Frequently Asked Questions

What is the IUPAC name of furan-3-thiol?
The IUPAC name of furan-3-thiol (CID 529393) is furan-3-thiol.
What is the SMILES notation for furan-3-thiol?
The canonical SMILES for furan-3-thiol is Sc1ccoc1.
What is the InChIKey of furan-3-thiol?
The InChIKey is MWFFRFMPYAKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-3,6H.
What are the key properties of furan-3-thiol?
furan-3-thiol has a molecular weight of 100.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-thiol is sourced from PubChem (CID 529393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).