2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C4H3F3N2S2 — CID 11030831

IUPAC2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCSc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S2/c1-10-3-9-8-2(11-3)4(5,6)7/h1H3
InChIKeyULROOIOMHZXHRY-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.28
Rot. Bonds1

About 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole

2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 11030831) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID11030831
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCSc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S2/c1-10-3-9-8-2(11-3)4(5,6)7/h1H3
InChIKeyULROOIOMHZXHRY-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3,4-thiadiazole
CID 131207343
2-(Fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole
CID 11829773
2-(Methylsulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11195273
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 13503934
5-Chlorodifluoromethyl-2-methylthio-1,3,4-thiadiazole
CID 14555307
2-(Difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 14555343
2-Propylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 17868361
2-Ethylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 17868362
2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 19426259
5-(Trifluoromethyl)-1,3,4-thiadiazole-2-thiolate
CID 30104101
2-Methylsulfanyloxy-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70148707
2-(Fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70369831

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 11030831) is 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CSc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is ULROOIOMHZXHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c1-10-3-9-8-2(11-3)4(5,6)7/h1H3.
What are the key properties of 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 200.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 11030831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).