2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde

C5H5NOS2 — CID 57182910

IUPAC2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(S)c1nccs1
InChIInChI=1S/C5H5NOS2/c7-3-4(8)5-6-1-2-9-5/h1-4,8H
InChIKeyQSSHWEHXQMITTF-UHFFFAOYSA-N
MW159.24 g/mol
LogP1.31
Rot. Bonds2

About 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde

2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde (PubChem CID 57182910) has the molecular formula C5H5NOS2 and a molecular weight of 159.24 g/mol. Its IUPAC name is 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde
PubChem CID57182910
Molecular FormulaC5H5NOS2
Molecular Weight159.24 g/mol
Exact Mass158.98
IUPAC Name2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESO=CC(S)c1nccs1
InChIInChI=1S/C5H5NOS2/c7-3-4(8)5-6-1-2-9-5/h1-4,8H
InChIKeyQSSHWEHXQMITTF-UHFFFAOYSA-N
XLogP1.31
TPSA29.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde (CID 57182910) is 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde is O=CC(S)c1nccs1.
What is the InChIKey of 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is QSSHWEHXQMITTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS2/c7-3-4(8)5-6-1-2-9-5/h1-4,8H.
What are the key properties of 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde?
2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 159.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2-(1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 57182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).