(5-fluoropyrimidin-2-yl)methanethiol

C5H5FN2S — CID 57179708

IUPAC(5-fluoropyrimidin-2-yl)methanethiol
SMILESFc1cnc(CS)nc1
InChIInChI=1S/C5H5FN2S/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2
InChIKeyQVXUOZIVPKYWGD-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.05
Rot. Bonds1

About (5-fluoropyrimidin-2-yl)methanethiol

(5-fluoropyrimidin-2-yl)methanethiol (PubChem CID 57179708) has the molecular formula C5H5FN2S and a molecular weight of 144.17 g/mol. Its IUPAC name is (5-fluoropyrimidin-2-yl)methanethiol.

Molecular Properties

Compound Name(5-fluoropyrimidin-2-yl)methanethiol
PubChem CID57179708
Molecular FormulaC5H5FN2S
Molecular Weight144.17 g/mol
Exact Mass144.02
IUPAC Name(5-fluoropyrimidin-2-yl)methanethiol
SMILESFc1cnc(CS)nc1
InChIInChI=1S/C5H5FN2S/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2
InChIKeyQVXUOZIVPKYWGD-UHFFFAOYSA-N
XLogP1.05
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.05
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-fluoropyrimidin-2-yl)methanethiol?
The IUPAC name of (5-fluoropyrimidin-2-yl)methanethiol (CID 57179708) is (5-fluoropyrimidin-2-yl)methanethiol.
What is the SMILES notation for (5-fluoropyrimidin-2-yl)methanethiol?
The canonical SMILES for (5-fluoropyrimidin-2-yl)methanethiol is Fc1cnc(CS)nc1.
What is the InChIKey of (5-fluoropyrimidin-2-yl)methanethiol?
The InChIKey is QVXUOZIVPKYWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2S/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2.
What are the key properties of (5-fluoropyrimidin-2-yl)methanethiol?
(5-fluoropyrimidin-2-yl)methanethiol has a molecular weight of 144.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropyrimidin-2-yl)methanethiol is sourced from PubChem (CID 57179708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).