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

C4H3Cl3N2S — CID 165347788

IUPAC5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole
SMILESCC(Cl)(Cl)c1nsc(Cl)n1
InChIInChI=1S/C4H3Cl3N2S/c1-4(6,7)2-8-3(5)10-9-2/h1H3
InChIKeyZCCHCFWYGGFQAP-UHFFFAOYSA-N
MW217.51 g/mol
LogP2.84
Rot. Bonds1

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

5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole (PubChem CID 165347788) has the molecular formula C4H3Cl3N2S and a molecular weight of 217.51 g/mol. Its IUPAC name is 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole
PubChem CID165347788
Molecular FormulaC4H3Cl3N2S
Molecular Weight217.51 g/mol
Exact Mass215.91
IUPAC Name5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole
SMILESCC(Cl)(Cl)c1nsc(Cl)n1
InChIInChI=1S/C4H3Cl3N2S/c1-4(6,7)2-8-3(5)10-9-2/h1H3
InChIKeyZCCHCFWYGGFQAP-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole
CID 12874683
3-Tert-butyl-5-chloro-1,2,4-thiadiazole
CID 13193083
5-Chloro-3-propyl-1,2,4-thiadiazole
CID 14763518
5-Chloro-3-(dichloromethyl)-1,2,4-thiadiazole
CID 19907892
3-Methyl-5-(trichloromethyl)-1,2,4-thiadiazole
CID 20314496
5-Chloro-3-(1-chloroethyl)-1,2,4-thiadiazole
CID 54234637
5-Ethyl-3-(trichloromethyl)-1,2,4-thiadiazole
CID 87721828
5-Methyl-3-(trichloromethyl)-1,2,4-thiadiazole
CID 118907899
5-Methoxy-3-(trichloromethyl)-1,2,4-thiadiazole
CID 154144668
3-Ethyl-5-methylchloranuidyl-1,2,4-thiadiazole
CID 163963863
5-Chloro-3-ethyl-1,2,4-thiadiazole;ethane
CID 166552937

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole (CID 165347788) is 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole is CC(Cl)(Cl)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole?
The InChIKey is ZCCHCFWYGGFQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl3N2S/c1-4(6,7)2-8-3(5)10-9-2/h1H3.
What are the key properties of 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole?
5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole has a molecular weight of 217.51 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,1-dichloroethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 165347788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).