2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol

C5H8OS2 — CID 170360346

IUPAC2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol
SMILESSCC1OC=CC1S
InChIInChI=1S/C5H8OS2/c7-3-4-5(8)1-2-6-4/h1-2,4-5,7-8H,3H2
InChIKeyRTFYSHHNAMKLTC-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.13
Rot. Bonds1

About 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol

2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol (PubChem CID 170360346) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol
PubChem CID170360346
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol
SMILESSCC1OC=CC1S
InChIInChI=1S/C5H8OS2/c7-3-4-5(8)1-2-6-4/h1-2,4-5,7-8H,3H2
InChIKeyRTFYSHHNAMKLTC-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol?
The IUPAC name of 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol (CID 170360346) is 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol is SCC1OC=CC1S.
What is the InChIKey of 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol?
The InChIKey is RTFYSHHNAMKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c7-3-4-5(8)1-2-6-4/h1-2,4-5,7-8H,3H2.
What are the key properties of 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol?
2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol has a molecular weight of 148.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylmethyl)-2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 170360346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).