4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde

C5H4ClNO2S2 — CID 19835127

IUPAC4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde
SMILESCS(=O)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C5H4ClNO2S2/c1-11(9)5-7-4(6)3(2-8)10-5/h2H,1H3
InChIKeyBXYJYAYOPLGWEO-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.35
Rot. Bonds2

About 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde

4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde (PubChem CID 19835127) has the molecular formula C5H4ClNO2S2 and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde
PubChem CID19835127
Molecular FormulaC5H4ClNO2S2
Molecular Weight209.68 g/mol
Exact Mass208.94
IUPAC Name4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde
SMILESCS(=O)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C5H4ClNO2S2/c1-11(9)5-7-4(6)3(2-8)10-5/h2H,1H3
InChIKeyBXYJYAYOPLGWEO-UHFFFAOYSA-N
XLogP1.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
CID 1488672
4-Chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 33777885
2-Bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CID 15141968
4-Chloro-2-methyl-1,3-thiazole-5-carbaldehyde
CID 21052312
4-Chloro-2-iodo-1,3-thiazole-5-carbaldehyde
CID 137935417
4-Chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 15665808
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 82006061
4-Chloro-2-(3,3,3-trifluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 82955888
4-Chloro-2-ethoxy-1,3-thiazole-5-carbaldehyde
CID 33777881
CID 173888673
CID 173888673
4-Chloro-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 53273660
4-Chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde
CID 80687080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde (CID 19835127) is 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde is CS(=O)c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is BXYJYAYOPLGWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S2/c1-11(9)5-7-4(6)3(2-8)10-5/h2H,1H3.
What are the key properties of 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 209.68 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfinyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 19835127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).