1,2-thiazolidine-2-carbaldehyde

C4H7NOS — CID 23367691

IUPAC1,2-thiazolidine-2-carbaldehyde
SMILESO=CN1CCCS1
InChIInChI=1S/C4H7NOS/c6-4-5-2-1-3-7-5/h4H,1-3H2
InChIKeyHCLINBPUEDYATM-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.50
Rot. Bonds1

About 1,2-thiazolidine-2-carbaldehyde

1,2-thiazolidine-2-carbaldehyde (PubChem CID 23367691) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 1,2-thiazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1,2-thiazolidine-2-carbaldehyde
PubChem CID23367691
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name1,2-thiazolidine-2-carbaldehyde
SMILESO=CN1CCCS1
InChIInChI=1S/C4H7NOS/c6-4-5-2-1-3-7-5/h4H,1-3H2
InChIKeyHCLINBPUEDYATM-UHFFFAOYSA-N
XLogP0.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazolidine-2-carbaldehyde?
The IUPAC name of 1,2-thiazolidine-2-carbaldehyde (CID 23367691) is 1,2-thiazolidine-2-carbaldehyde.
What is the SMILES notation for 1,2-thiazolidine-2-carbaldehyde?
The canonical SMILES for 1,2-thiazolidine-2-carbaldehyde is O=CN1CCCS1.
What is the InChIKey of 1,2-thiazolidine-2-carbaldehyde?
The InChIKey is HCLINBPUEDYATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c6-4-5-2-1-3-7-5/h4H,1-3H2.
What are the key properties of 1,2-thiazolidine-2-carbaldehyde?
1,2-thiazolidine-2-carbaldehyde has a molecular weight of 117.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazolidine-2-carbaldehyde is sourced from PubChem (CID 23367691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).