(3-ethylfuran-2-yl)methanethiol

C7H10OS — CID 89321498

IUPAC(3-ethylfuran-2-yl)methanethiol
SMILESCCc1ccoc1CS
InChIInChI=1S/C7H10OS/c1-2-6-3-4-8-7(6)5-9/h3-4,9H,2,5H2,1H3
InChIKeyWBAYKHNPIVZMRT-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.27
Rot. Bonds2

About (3-ethylfuran-2-yl)methanethiol

(3-ethylfuran-2-yl)methanethiol (PubChem CID 89321498) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is (3-ethylfuran-2-yl)methanethiol.

Molecular Properties

Compound Name(3-ethylfuran-2-yl)methanethiol
PubChem CID89321498
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name(3-ethylfuran-2-yl)methanethiol
SMILESCCc1ccoc1CS
InChIInChI=1S/C7H10OS/c1-2-6-3-4-8-7(6)5-9/h3-4,9H,2,5H2,1H3
InChIKeyWBAYKHNPIVZMRT-UHFFFAOYSA-N
XLogP2.27
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.27
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-ethylfuran-2-yl)methanethiol?
The IUPAC name of (3-ethylfuran-2-yl)methanethiol (CID 89321498) is (3-ethylfuran-2-yl)methanethiol.
What is the SMILES notation for (3-ethylfuran-2-yl)methanethiol?
The canonical SMILES for (3-ethylfuran-2-yl)methanethiol is CCc1ccoc1CS.
What is the InChIKey of (3-ethylfuran-2-yl)methanethiol?
The InChIKey is WBAYKHNPIVZMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-2-6-3-4-8-7(6)5-9/h3-4,9H,2,5H2,1H3.
What are the key properties of (3-ethylfuran-2-yl)methanethiol?
(3-ethylfuran-2-yl)methanethiol has a molecular weight of 142.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylfuran-2-yl)methanethiol is sourced from PubChem (CID 89321498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).