4-amino-5-sulfanylideneimidazol-2-one

C3H3N3OS — CID 88766412

IUPAC4-amino-5-sulfanylideneimidazol-2-one
SMILESNC1=NC(=O)NC1=S
InChIInChI=1S/C3H3N3OS/c4-1-2(8)6-3(7)5-1/h(H3,4,5,6,7,8)
InChIKeyRZPOTKSFWDAXFJ-UHFFFAOYSA-N
MW129.14 g/mol
LogP-0.61
Rot. Bonds

About 4-amino-5-sulfanylideneimidazol-2-one

4-amino-5-sulfanylideneimidazol-2-one (PubChem CID 88766412) has the molecular formula C3H3N3OS and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-amino-5-sulfanylideneimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-sulfanylideneimidazol-2-one
PubChem CID88766412
Molecular FormulaC3H3N3OS
Molecular Weight129.14 g/mol
Exact Mass129.00
IUPAC Name4-amino-5-sulfanylideneimidazol-2-one
SMILESNC1=NC(=O)NC1=S
InChIInChI=1S/C3H3N3OS/c4-1-2(8)6-3(7)5-1/h(H3,4,5,6,7,8)
InChIKeyRZPOTKSFWDAXFJ-UHFFFAOYSA-N
XLogP-0.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-amino-5-sulfanylideneimidazol-2-one?
The IUPAC name of 4-amino-5-sulfanylideneimidazol-2-one (CID 88766412) is 4-amino-5-sulfanylideneimidazol-2-one.
What is the SMILES notation for 4-amino-5-sulfanylideneimidazol-2-one?
The canonical SMILES for 4-amino-5-sulfanylideneimidazol-2-one is NC1=NC(=O)NC1=S.
What is the InChIKey of 4-amino-5-sulfanylideneimidazol-2-one?
The InChIKey is RZPOTKSFWDAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3OS/c4-1-2(8)6-3(7)5-1/h(H3,4,5,6,7,8).
What are the key properties of 4-amino-5-sulfanylideneimidazol-2-one?
4-amino-5-sulfanylideneimidazol-2-one has a molecular weight of 129.14 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-sulfanylideneimidazol-2-one is sourced from PubChem (CID 88766412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).