3-(5-methylfuran-2-yl)prop-2-ene-1-thiol

C8H10OS — CID 169456559

IUPAC3-(5-methylfuran-2-yl)prop-2-ene-1-thiol
SMILESCc1ccc(C=CCS)o1
InChIInChI=1S/C8H10OS/c1-7-4-5-8(9-7)3-2-6-10/h2-5,10H,6H2,1H3
InChIKeyKGRYWUMYGKQJBR-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.53
Rot. Bonds2

About 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol

3-(5-methylfuran-2-yl)prop-2-ene-1-thiol (PubChem CID 169456559) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)prop-2-ene-1-thiol
PubChem CID169456559
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name3-(5-methylfuran-2-yl)prop-2-ene-1-thiol
SMILESCc1ccc(C=CCS)o1
InChIInChI=1S/C8H10OS/c1-7-4-5-8(9-7)3-2-6-10/h2-5,10H,6H2,1H3
InChIKeyKGRYWUMYGKQJBR-UHFFFAOYSA-N
XLogP2.53
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.53
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 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol?
The IUPAC name of 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol (CID 169456559) is 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol.
What is the SMILES notation for 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol?
The canonical SMILES for 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol is Cc1ccc(C=CCS)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol?
The InChIKey is KGRYWUMYGKQJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-7-4-5-8(9-7)3-2-6-10/h2-5,10H,6H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol?
3-(5-methylfuran-2-yl)prop-2-ene-1-thiol has a molecular weight of 154.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)prop-2-ene-1-thiol is sourced from PubChem (CID 169456559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).