3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole

C6H9ClN2O2S — CID 43808045

IUPAC3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole
SMILESCCOCCOc1nsnc1Cl
InChIInChI=1S/C6H9ClN2O2S/c1-2-10-3-4-11-6-5(7)8-12-9-6/h2-4H2,1H3
InChIKeyVFDCDUVRDOIOMU-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.61
Rot. Bonds5

About 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole

3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole (PubChem CID 43808045) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole
PubChem CID43808045
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole
SMILESCCOCCOc1nsnc1Cl
InChIInChI=1S/C6H9ClN2O2S/c1-2-10-3-4-11-6-5(7)8-12-9-6/h2-4H2,1H3
InChIKeyVFDCDUVRDOIOMU-UHFFFAOYSA-N
XLogP1.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole (CID 43808045) is 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole is CCOCCOc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole?
The InChIKey is VFDCDUVRDOIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-2-10-3-4-11-6-5(7)8-12-9-6/h2-4H2,1H3.
What are the key properties of 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole?
3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole has a molecular weight of 208.67 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43808045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).