5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole

C7H7F5N2S3 — CID 135170707

IUPAC5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
SMILESCc1nc(SCCSC(F)(F)C(F)(F)F)ns1
InChIInChI=1S/C7H7F5N2S3/c1-4-13-5(14-17-4)15-2-3-16-7(11,12)6(8,9)10/h2-3H2,1H3
InChIKeyYVCYHFWOSGZXQU-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.83
Rot. Bonds5

About 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole

5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole (PubChem CID 135170707) has the molecular formula C7H7F5N2S3 and a molecular weight of 310.34 g/mol. Its IUPAC name is 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
PubChem CID135170707
Molecular FormulaC7H7F5N2S3
Molecular Weight310.34 g/mol
Exact Mass309.97
IUPAC Name5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
SMILESCc1nc(SCCSC(F)(F)C(F)(F)F)ns1
InChIInChI=1S/C7H7F5N2S3/c1-4-13-5(14-17-4)15-2-3-16-7(11,12)6(8,9)10/h2-3H2,1H3
InChIKeyYVCYHFWOSGZXQU-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole (CID 135170707) is 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole is Cc1nc(SCCSC(F)(F)C(F)(F)F)ns1.
What is the InChIKey of 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole?
The InChIKey is YVCYHFWOSGZXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2S3/c1-4-13-5(14-17-4)15-2-3-16-7(11,12)6(8,9)10/h2-3H2,1H3.
What are the key properties of 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole?
5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole has a molecular weight of 310.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 135170707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).