6-fluoro-1H-pyrimidine-2-thione

C4H3FN2S — CID 45080155

IUPAC6-fluoro-1H-pyrimidine-2-thione
SMILESFc1ccnc(=S)[nH]1
InChIInChI=1S/C4H3FN2S/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
InChIKeyYGHYTYUCZNXXFC-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.28
Rot. Bonds

About 6-fluoro-1H-pyrimidine-2-thione

6-fluoro-1H-pyrimidine-2-thione (PubChem CID 45080155) has the molecular formula C4H3FN2S and a molecular weight of 130.15 g/mol. Its IUPAC name is 6-fluoro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-fluoro-1H-pyrimidine-2-thione
PubChem CID45080155
Molecular FormulaC4H3FN2S
Molecular Weight130.15 g/mol
Exact Mass130.00
IUPAC Name6-fluoro-1H-pyrimidine-2-thione
SMILESFc1ccnc(=S)[nH]1
InChIInChI=1S/C4H3FN2S/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
InChIKeyYGHYTYUCZNXXFC-UHFFFAOYSA-N
XLogP1.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-fluoro-1H-pyrimidine-2-thione?
The IUPAC name of 6-fluoro-1H-pyrimidine-2-thione (CID 45080155) is 6-fluoro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-fluoro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-fluoro-1H-pyrimidine-2-thione is Fc1ccnc(=S)[nH]1.
What is the InChIKey of 6-fluoro-1H-pyrimidine-2-thione?
The InChIKey is YGHYTYUCZNXXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2S/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8).
What are the key properties of 6-fluoro-1H-pyrimidine-2-thione?
6-fluoro-1H-pyrimidine-2-thione has a molecular weight of 130.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-pyrimidine-2-thione is sourced from PubChem (CID 45080155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).