1,3-thiazolidine-3-carbaldehyde;dihydrobromide

C4H9Br2NOS — CID 141312791

IUPAC1,3-thiazolidine-3-carbaldehyde;dihydrobromide
SMILESBr.Br.O=CN1CCSC1
InChIInChI=1S/C4H7NOS.2BrH/c6-3-5-1-2-7-4-5;;/h3H,1-2,4H2;2*1H
InChIKeyJUUZHBQVQHAMGZ-UHFFFAOYSA-N
MW279.00 g/mol
LogP1.30
Rot. Bonds1

About 1,3-thiazolidine-3-carbaldehyde;dihydrobromide

1,3-thiazolidine-3-carbaldehyde;dihydrobromide (PubChem CID 141312791) has the molecular formula C4H9Br2NOS and a molecular weight of 279.00 g/mol. Its IUPAC name is 1,3-thiazolidine-3-carbaldehyde;dihydrobromide.

Molecular Properties

Compound Name1,3-thiazolidine-3-carbaldehyde;dihydrobromide
PubChem CID141312791
Molecular FormulaC4H9Br2NOS
Molecular Weight279.00 g/mol
Exact Mass276.88
IUPAC Name1,3-thiazolidine-3-carbaldehyde;dihydrobromide
SMILESBr.Br.O=CN1CCSC1
InChIInChI=1S/C4H7NOS.2BrH/c6-3-5-1-2-7-4-5;;/h3H,1-2,4H2;2*1H
InChIKeyJUUZHBQVQHAMGZ-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.00
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidine-3-carbaldehyde;dihydrobromide?
The IUPAC name of 1,3-thiazolidine-3-carbaldehyde;dihydrobromide (CID 141312791) is 1,3-thiazolidine-3-carbaldehyde;dihydrobromide.
What is the SMILES notation for 1,3-thiazolidine-3-carbaldehyde;dihydrobromide?
The canonical SMILES for 1,3-thiazolidine-3-carbaldehyde;dihydrobromide is Br.Br.O=CN1CCSC1.
What is the InChIKey of 1,3-thiazolidine-3-carbaldehyde;dihydrobromide?
The InChIKey is JUUZHBQVQHAMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.2BrH/c6-3-5-1-2-7-4-5;;/h3H,1-2,4H2;2*1H.
What are the key properties of 1,3-thiazolidine-3-carbaldehyde;dihydrobromide?
1,3-thiazolidine-3-carbaldehyde;dihydrobromide has a molecular weight of 279.00 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-3-carbaldehyde;dihydrobromide is sourced from PubChem (CID 141312791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).