(5-pyridin-3-ylfuran-2-yl)methanethiol

C10H9NOS — CID 11993866

IUPAC(5-pyridin-3-ylfuran-2-yl)methanethiol
SMILESSCc1ccc(-c2cccnc2)o1
InChIInChI=1S/C10H9NOS/c13-7-9-3-4-10(12-9)8-2-1-5-11-6-8/h1-6,13H,7H2
InChIKeyGLMNDKCXHHOKIQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.77
Rot. Bonds2

About (5-pyridin-3-ylfuran-2-yl)methanethiol

(5-pyridin-3-ylfuran-2-yl)methanethiol (PubChem CID 11993866) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is (5-pyridin-3-ylfuran-2-yl)methanethiol.

Molecular Properties

Compound Name(5-pyridin-3-ylfuran-2-yl)methanethiol
PubChem CID11993866
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name(5-pyridin-3-ylfuran-2-yl)methanethiol
SMILESSCc1ccc(-c2cccnc2)o1
InChIInChI=1S/C10H9NOS/c13-7-9-3-4-10(12-9)8-2-1-5-11-6-8/h1-6,13H,7H2
InChIKeyGLMNDKCXHHOKIQ-UHFFFAOYSA-N
XLogP2.77
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
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 (5-pyridin-3-ylfuran-2-yl)methanethiol?
The IUPAC name of (5-pyridin-3-ylfuran-2-yl)methanethiol (CID 11993866) is (5-pyridin-3-ylfuran-2-yl)methanethiol.
What is the SMILES notation for (5-pyridin-3-ylfuran-2-yl)methanethiol?
The canonical SMILES for (5-pyridin-3-ylfuran-2-yl)methanethiol is SCc1ccc(-c2cccnc2)o1.
What is the InChIKey of (5-pyridin-3-ylfuran-2-yl)methanethiol?
The InChIKey is GLMNDKCXHHOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c13-7-9-3-4-10(12-9)8-2-1-5-11-6-8/h1-6,13H,7H2.
What are the key properties of (5-pyridin-3-ylfuran-2-yl)methanethiol?
(5-pyridin-3-ylfuran-2-yl)methanethiol has a molecular weight of 191.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-ylfuran-2-yl)methanethiol is sourced from PubChem (CID 11993866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).