1-sulfanylimidazolidin-2-one

C3H6N2OS — CID 87383251

IUPAC1-sulfanylimidazolidin-2-one
SMILESO=C1NCCN1S
InChIInChI=1S/C3H6N2OS/c6-3-4-1-2-5(3)7/h7H,1-2H2,(H,4,6)
InChIKeyRBLZMQODVSLEHV-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.14
Rot. Bonds

About 1-sulfanylimidazolidin-2-one

1-sulfanylimidazolidin-2-one (PubChem CID 87383251) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is 1-sulfanylimidazolidin-2-one.

Molecular Properties

Compound Name1-sulfanylimidazolidin-2-one
PubChem CID87383251
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name1-sulfanylimidazolidin-2-one
SMILESO=C1NCCN1S
InChIInChI=1S/C3H6N2OS/c6-3-4-1-2-5(3)7/h7H,1-2H2,(H,4,6)
InChIKeyRBLZMQODVSLEHV-UHFFFAOYSA-N
XLogP-0.14
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanylimidazolidin-2-one?
The IUPAC name of 1-sulfanylimidazolidin-2-one (CID 87383251) is 1-sulfanylimidazolidin-2-one.
What is the SMILES notation for 1-sulfanylimidazolidin-2-one?
The canonical SMILES for 1-sulfanylimidazolidin-2-one is O=C1NCCN1S.
What is the InChIKey of 1-sulfanylimidazolidin-2-one?
The InChIKey is RBLZMQODVSLEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c6-3-4-1-2-5(3)7/h7H,1-2H2,(H,4,6).
What are the key properties of 1-sulfanylimidazolidin-2-one?
1-sulfanylimidazolidin-2-one has a molecular weight of 118.16 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylimidazolidin-2-one is sourced from PubChem (CID 87383251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).