furan-2-ylmethanethiol

C5H6OS — CID 7363

IUPACfuran-2-ylmethanethiol
SMILESSCc1ccco1
InChIInChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
InChIKeyZFFTZDQKIXPDAF-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.71
Rot. Bonds1

About furan-2-ylmethanethiol

furan-2-ylmethanethiol (PubChem CID 7363) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is furan-2-ylmethanethiol.

Molecular Properties

Compound Namefuran-2-ylmethanethiol
PubChem CID7363
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Namefuran-2-ylmethanethiol
SMILESSCc1ccco1
InChIInChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
InChIKeyZFFTZDQKIXPDAF-UHFFFAOYSA-N
XLogP1.71
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanethiol?
The IUPAC name of furan-2-ylmethanethiol (CID 7363) is furan-2-ylmethanethiol.
What is the SMILES notation for furan-2-ylmethanethiol?
The canonical SMILES for furan-2-ylmethanethiol is SCc1ccco1.
What is the InChIKey of furan-2-ylmethanethiol?
The InChIKey is ZFFTZDQKIXPDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2.
What are the key properties of furan-2-ylmethanethiol?
furan-2-ylmethanethiol has a molecular weight of 114.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanethiol is sourced from PubChem (CID 7363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).