5-methylfuran-3-thiol

C5H6OS — CID 15128425

IUPAC5-methylfuran-3-thiol
SMILESCc1cc(S)co1
InChIInChI=1S/C5H6OS/c1-4-2-5(7)3-6-4/h2-3,7H,1H3
InChIKeyHHVWAQYIXICMLT-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.88
Rot. Bonds

About 5-methylfuran-3-thiol

5-methylfuran-3-thiol (PubChem CID 15128425) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 5-methylfuran-3-thiol.

Molecular Properties

Compound Name5-methylfuran-3-thiol
PubChem CID15128425
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name5-methylfuran-3-thiol
SMILESCc1cc(S)co1
InChIInChI=1S/C5H6OS/c1-4-2-5(7)3-6-4/h2-3,7H,1H3
InChIKeyHHVWAQYIXICMLT-UHFFFAOYSA-N
XLogP1.88
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.88
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 5-methylfuran-3-thiol?
The IUPAC name of 5-methylfuran-3-thiol (CID 15128425) is 5-methylfuran-3-thiol.
What is the SMILES notation for 5-methylfuran-3-thiol?
The canonical SMILES for 5-methylfuran-3-thiol is Cc1cc(S)co1.
What is the InChIKey of 5-methylfuran-3-thiol?
The InChIKey is HHVWAQYIXICMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c1-4-2-5(7)3-6-4/h2-3,7H,1H3.
What are the key properties of 5-methylfuran-3-thiol?
5-methylfuran-3-thiol has a molecular weight of 114.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuran-3-thiol is sourced from PubChem (CID 15128425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).