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

C3HCl3N2S — CID 19907892

IUPAC5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole
SMILESClc1nc(C(Cl)Cl)ns1
InChIInChI=1S/C3HCl3N2S/c4-1(5)2-7-3(6)9-8-2/h1H
InChIKeySAWJWJGKMDNWNY-UHFFFAOYSA-N
MW203.48 g/mol
LogP2.67
Rot. Bonds1

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

5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole (PubChem CID 19907892) has the molecular formula C3HCl3N2S and a molecular weight of 203.48 g/mol. Its IUPAC name is 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole
PubChem CID19907892
Molecular FormulaC3HCl3N2S
Molecular Weight203.48 g/mol
Exact Mass201.89
IUPAC Name5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole
SMILESClc1nc(C(Cl)Cl)ns1
InChIInChI=1S/C3HCl3N2S/c4-1(5)2-7-3(6)9-8-2/h1H
InChIKeySAWJWJGKMDNWNY-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole (CID 19907892) is 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole is Clc1nc(C(Cl)Cl)ns1.
What is the InChIKey of 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole?
The InChIKey is SAWJWJGKMDNWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3N2S/c4-1(5)2-7-3(6)9-8-2/h1H.
What are the key properties of 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole?
5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole has a molecular weight of 203.48 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(dichloromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 19907892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).