5-sulfanyl-1H-pyrimidine-6-thione

C4H4N2S2 — CID 58862924

IUPAC5-sulfanyl-1H-pyrimidine-6-thione
SMILESS=c1[nH]cncc1S
InChIInChI=1S/C4H4N2S2/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8)
InChIKeyUSHZUUULHCQVHH-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.43
Rot. Bonds

About 5-sulfanyl-1H-pyrimidine-6-thione

5-sulfanyl-1H-pyrimidine-6-thione (PubChem CID 58862924) has the molecular formula C4H4N2S2 and a molecular weight of 144.22 g/mol. Its IUPAC name is 5-sulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-sulfanyl-1H-pyrimidine-6-thione
PubChem CID58862924
Molecular FormulaC4H4N2S2
Molecular Weight144.22 g/mol
Exact Mass143.98
IUPAC Name5-sulfanyl-1H-pyrimidine-6-thione
SMILESS=c1[nH]cncc1S
InChIInChI=1S/C4H4N2S2/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8)
InChIKeyUSHZUUULHCQVHH-UHFFFAOYSA-N
XLogP1.43
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 5-sulfanyl-1H-pyrimidine-6-thione (CID 58862924) is 5-sulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-sulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 5-sulfanyl-1H-pyrimidine-6-thione is S=c1[nH]cncc1S.
What is the InChIKey of 5-sulfanyl-1H-pyrimidine-6-thione?
The InChIKey is USHZUUULHCQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2S2/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8).
What are the key properties of 5-sulfanyl-1H-pyrimidine-6-thione?
5-sulfanyl-1H-pyrimidine-6-thione has a molecular weight of 144.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 58862924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).