4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide

C4H6N4O3S2 — CID 91151012

IUPAC4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide
SMILESNNS(=O)(=O)c1c[nH]c(=S)[nH]c1=O
InChIInChI=1S/C4H6N4O3S2/c5-8-13(10,11)2-1-6-4(12)7-3(2)9/h1,8H,5H2,(H2,6,7,9,12)
InChIKeyFNNLKMSGUMEEQK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.42
Rot. Bonds2

About 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide

4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide (PubChem CID 91151012) has the molecular formula C4H6N4O3S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide.

Molecular Properties

Compound Name4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide
PubChem CID91151012
Molecular FormulaC4H6N4O3S2
Molecular Weight222.25 g/mol
Exact Mass221.99
IUPAC Name4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide
SMILESNNS(=O)(=O)c1c[nH]c(=S)[nH]c1=O
InChIInChI=1S/C4H6N4O3S2/c5-8-13(10,11)2-1-6-4(12)7-3(2)9/h1,8H,5H2,(H2,6,7,9,12)
InChIKeyFNNLKMSGUMEEQK-UHFFFAOYSA-N
XLogP-1.42
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide?
The IUPAC name of 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide (CID 91151012) is 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide.
What is the SMILES notation for 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide?
The canonical SMILES for 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide is NNS(=O)(=O)c1c[nH]c(=S)[nH]c1=O.
What is the InChIKey of 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide?
The InChIKey is FNNLKMSGUMEEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3S2/c5-8-13(10,11)2-1-6-4(12)7-3(2)9/h1,8H,5H2,(H2,6,7,9,12).
What are the key properties of 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide?
4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide has a molecular weight of 222.25 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-sulfanylidene-1H-pyrimidine-5-sulfonohydrazide is sourced from PubChem (CID 91151012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).