furan-3-carbothialdehyde

C5H4OS — CID 23322491

IUPACfuran-3-carbothialdehyde
SMILESS=Cc1ccoc1
InChIInChI=1S/C5H4OS/c7-4-5-1-2-6-3-5/h1-4H
InChIKeyBJMRHDQGBIKVHH-UHFFFAOYSA-N
MW112.15 g/mol
LogP1.63
Rot. Bonds1

About furan-3-carbothialdehyde

furan-3-carbothialdehyde (PubChem CID 23322491) has the molecular formula C5H4OS and a molecular weight of 112.15 g/mol. Its IUPAC name is furan-3-carbothialdehyde.

Molecular Properties

Compound Namefuran-3-carbothialdehyde
PubChem CID23322491
Molecular FormulaC5H4OS
Molecular Weight112.15 g/mol
Exact Mass112.00
IUPAC Namefuran-3-carbothialdehyde
SMILESS=Cc1ccoc1
InChIInChI=1S/C5H4OS/c7-4-5-1-2-6-3-5/h1-4H
InChIKeyBJMRHDQGBIKVHH-UHFFFAOYSA-N
XLogP1.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-3-carbothialdehyde?
The IUPAC name of furan-3-carbothialdehyde (CID 23322491) is furan-3-carbothialdehyde.
What is the SMILES notation for furan-3-carbothialdehyde?
The canonical SMILES for furan-3-carbothialdehyde is S=Cc1ccoc1.
What is the InChIKey of furan-3-carbothialdehyde?
The InChIKey is BJMRHDQGBIKVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OS/c7-4-5-1-2-6-3-5/h1-4H.
What are the key properties of furan-3-carbothialdehyde?
furan-3-carbothialdehyde has a molecular weight of 112.15 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbothialdehyde is sourced from PubChem (CID 23322491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).