5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole

C3Cl2F2N2S — CID 13279590

IUPAC5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole
SMILESFC(F)(Cl)c1nsc(Cl)n1
InChIInChI=1S/C3Cl2F2N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKeyFXMSOKLDBVEZFR-UHFFFAOYSA-N
MW205.02 g/mol
LogP2.48
Rot. Bonds1

About 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole

5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole (PubChem CID 13279590) has the molecular formula C3Cl2F2N2S and a molecular weight of 205.02 g/mol. Its IUPAC name is 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole
PubChem CID13279590
Molecular FormulaC3Cl2F2N2S
Molecular Weight205.02 g/mol
Exact Mass203.91
IUPAC Name5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole
SMILESFC(F)(Cl)c1nsc(Cl)n1
InChIInChI=1S/C3Cl2F2N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKeyFXMSOKLDBVEZFR-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-
CID 79930
5-Chloro-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 13279589
5-Chloro-3-(difluoromethyl)-1,2,4-thiadiazole
CID 22157821
5-Fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 139959853
5-Chloro-3-[dichloro(fluoro)methyl]-1,2,4-thiadiazole
CID 13279591
5-Chloro-3-[chloro(fluoro)methyl]-1,2,4-thiadiazole
CID 70516714
3-(Dichlorofluoromethyl)-5-fluoro-1,2,4-thiadiazole
CID 139959855
5-Chloro-3-(trifluoromethyl)-1,2,4-thiadiazole;hydrochloride
CID 160048298
5-Iodo-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 154725827
5-Iodo-3-(trichloromethyl)-1,2,4-thiadiazole
CID 165874873

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole (CID 13279590) is 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole is FC(F)(Cl)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole?
The InChIKey is FXMSOKLDBVEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F2N2S/c4-2-8-1(9-10-2)3(5,6)7.
What are the key properties of 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole?
5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole has a molecular weight of 205.02 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[chloro(difluoro)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 13279590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).