3-fluoro-1H-pyrimidine-2,4-dithione

C4H3FN2S2 — CID 165157405

IUPAC3-fluoro-1H-pyrimidine-2,4-dithione
SMILESFn1c(=S)cc[nH]c1=S
InChIInChI=1S/C4H3FN2S2/c5-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9)
InChIKeyUUWSCNMXOHTGTM-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.01
Rot. Bonds

About 3-fluoro-1H-pyrimidine-2,4-dithione

3-fluoro-1H-pyrimidine-2,4-dithione (PubChem CID 165157405) has the molecular formula C4H3FN2S2 and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-fluoro-1H-pyrimidine-2,4-dithione.

Molecular Properties

Compound Name3-fluoro-1H-pyrimidine-2,4-dithione
PubChem CID165157405
Molecular FormulaC4H3FN2S2
Molecular Weight162.21 g/mol
Exact Mass161.97
IUPAC Name3-fluoro-1H-pyrimidine-2,4-dithione
SMILESFn1c(=S)cc[nH]c1=S
InChIInChI=1S/C4H3FN2S2/c5-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9)
InChIKeyUUWSCNMXOHTGTM-UHFFFAOYSA-N
XLogP2.01
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dithione?
The IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dithione (CID 165157405) is 3-fluoro-1H-pyrimidine-2,4-dithione.
What is the SMILES notation for 3-fluoro-1H-pyrimidine-2,4-dithione?
The canonical SMILES for 3-fluoro-1H-pyrimidine-2,4-dithione is Fn1c(=S)cc[nH]c1=S.
What is the InChIKey of 3-fluoro-1H-pyrimidine-2,4-dithione?
The InChIKey is UUWSCNMXOHTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2S2/c5-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9).
What are the key properties of 3-fluoro-1H-pyrimidine-2,4-dithione?
3-fluoro-1H-pyrimidine-2,4-dithione has a molecular weight of 162.21 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyrimidine-2,4-dithione is sourced from PubChem (CID 165157405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).