2-sulfanylideneimidazolidine-1-carbaldehyde

C4H6N2OS — CID 55286756

IUPAC2-sulfanylideneimidazolidine-1-carbaldehyde
SMILESO=CN1CCNC1=S
InChIInChI=1S/C4H6N2OS/c7-3-6-2-1-5-4(6)8/h3H,1-2H2,(H,5,8)
InChIKeySEZXDIZHRQESIV-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.67
Rot. Bonds1

About 2-sulfanylideneimidazolidine-1-carbaldehyde

2-sulfanylideneimidazolidine-1-carbaldehyde (PubChem CID 55286756) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-sulfanylideneimidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-sulfanylideneimidazolidine-1-carbaldehyde
PubChem CID55286756
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-sulfanylideneimidazolidine-1-carbaldehyde
SMILESO=CN1CCNC1=S
InChIInChI=1S/C4H6N2OS/c7-3-6-2-1-5-4(6)8/h3H,1-2H2,(H,5,8)
InChIKeySEZXDIZHRQESIV-UHFFFAOYSA-N
XLogP-0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylideneimidazolidine-1-carbaldehyde?
The IUPAC name of 2-sulfanylideneimidazolidine-1-carbaldehyde (CID 55286756) is 2-sulfanylideneimidazolidine-1-carbaldehyde.
What is the SMILES notation for 2-sulfanylideneimidazolidine-1-carbaldehyde?
The canonical SMILES for 2-sulfanylideneimidazolidine-1-carbaldehyde is O=CN1CCNC1=S.
What is the InChIKey of 2-sulfanylideneimidazolidine-1-carbaldehyde?
The InChIKey is SEZXDIZHRQESIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c7-3-6-2-1-5-4(6)8/h3H,1-2H2,(H,5,8).
What are the key properties of 2-sulfanylideneimidazolidine-1-carbaldehyde?
2-sulfanylideneimidazolidine-1-carbaldehyde has a molecular weight of 130.17 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylideneimidazolidine-1-carbaldehyde is sourced from PubChem (CID 55286756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).