3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole

C4H3F3N2S2 — CID 118466200

IUPAC3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
SMILESCc1nsc(SC(F)(F)F)n1
InChIInChI=1S/C4H3F3N2S2/c1-2-8-3(11-9-2)10-4(5,6)7/h1H3
InChIKeyYYZHKWCEECJYPS-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.46
Rot. Bonds1

About 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole

3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 118466200) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
PubChem CID118466200
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
SMILESCc1nsc(SC(F)(F)F)n1
InChIInChI=1S/C4H3F3N2S2/c1-2-8-3(11-9-2)10-4(5,6)7/h1H3
InChIKeyYYZHKWCEECJYPS-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(difluoromethyl)-1,2,4-thiadiazole
CID 22157821
5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
CID 59498013
CID 59498013
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-Methyl-5-(trifluoromethoxysulfanyl)-1,2,4-thiadiazole
CID 70841976
5-Methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
CID 118466185
3-Methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466199
5-Methylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 130637668
5-Methylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163623582
5-Ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 170080917
Trifluoro-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]boranuide
CID 80431181

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole (CID 118466200) is 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole is Cc1nsc(SC(F)(F)F)n1.
What is the InChIKey of 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is YYZHKWCEECJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c1-2-8-3(11-9-2)10-4(5,6)7/h1H3.
What are the key properties of 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 200.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 118466200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).