1H-pyrimidine-6-thione;sulfuric acid

C4H6N2O4S2 — CID 173204844

IUPAC1H-pyrimidine-6-thione;sulfuric acid
SMILESO=S(=O)(O)O.S=c1ccnc[nH]1
InChIInChI=1S/C4H4N2S.H2O4S/c7-4-1-2-5-3-6-4;1-5(2,3)4/h1-3H,(H,5,6,7);(H2,1,2,3,4)
InChIKeyYUVAWDOEHVGUJX-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.49
Rot. Bonds

About 1H-pyrimidine-6-thione;sulfuric acid

1H-pyrimidine-6-thione;sulfuric acid (PubChem CID 173204844) has the molecular formula C4H6N2O4S2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1H-pyrimidine-6-thione;sulfuric acid.

Molecular Properties

Compound Name1H-pyrimidine-6-thione;sulfuric acid
PubChem CID173204844
Molecular FormulaC4H6N2O4S2
Molecular Weight210.24 g/mol
Exact Mass209.98
IUPAC Name1H-pyrimidine-6-thione;sulfuric acid
SMILESO=S(=O)(O)O.S=c1ccnc[nH]1
InChIInChI=1S/C4H4N2S.H2O4S/c7-4-1-2-5-3-6-4;1-5(2,3)4/h1-3H,(H,5,6,7);(H2,1,2,3,4)
InChIKeyYUVAWDOEHVGUJX-UHFFFAOYSA-N
XLogP0.49
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-6-thione;sulfuric acid?
The IUPAC name of 1H-pyrimidine-6-thione;sulfuric acid (CID 173204844) is 1H-pyrimidine-6-thione;sulfuric acid.
What is the SMILES notation for 1H-pyrimidine-6-thione;sulfuric acid?
The canonical SMILES for 1H-pyrimidine-6-thione;sulfuric acid is O=S(=O)(O)O.S=c1ccnc[nH]1.
What is the InChIKey of 1H-pyrimidine-6-thione;sulfuric acid?
The InChIKey is YUVAWDOEHVGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2S.H2O4S/c7-4-1-2-5-3-6-4;1-5(2,3)4/h1-3H,(H,5,6,7);(H2,1,2,3,4).
What are the key properties of 1H-pyrimidine-6-thione;sulfuric acid?
1H-pyrimidine-6-thione;sulfuric acid has a molecular weight of 210.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-6-thione;sulfuric acid is sourced from PubChem (CID 173204844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).