6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one

C4H3FN2OS — CID 21484609

IUPAC6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(F)[nH]c(=S)[nH]1
InChIInChI=1S/C4H3FN2OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKeyURTRAAJRTDWJEE-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.57
Rot. Bonds

About 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one

6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 21484609) has the molecular formula C4H3FN2OS and a molecular weight of 146.15 g/mol. Its IUPAC name is 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID21484609
Molecular FormulaC4H3FN2OS
Molecular Weight146.15 g/mol
Exact Mass146.00
IUPAC Name6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(F)[nH]c(=S)[nH]1
InChIInChI=1S/C4H3FN2OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKeyURTRAAJRTDWJEE-UHFFFAOYSA-N
XLogP0.57
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Trifluoromethyl-2-thiouracil
CID 1239796
6-Amino-2-thiouracil
CID 1201441
4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate
CID 2723599
6-amino-1-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 816915
6-(Fluoromethyl)-2-mercapto-4-pyrimidinol
CID 3246120
6-sulfanyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 20226060
6-amino-2-sulfanylidene-1H-pyrimidin-4-one;palladium
CID 54601608
sodium 4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate
CID 57568689
CID 56766371
CID 56766371
(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)urea
CID 3333002
6-amino-2-sulfanylidene-1H-pyrimidin-4-one;platinum
CID 54611035
Sodium 6-hydroxy-2-sulfanylidenepyrimidin-1-id-4-one
CID 170920415

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one (CID 21484609) is 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(F)[nH]c(=S)[nH]1.
What is the InChIKey of 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is URTRAAJRTDWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9).
What are the key properties of 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 146.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 21484609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).