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

C4H3F3N2S2 — CID 118466137

IUPAC2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SC(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S2/c1-2-8-9-3(10-2)11-4(5,6)7/h1H3
InChIKeyVNJUHOYVJBSJIL-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.46
Rot. Bonds1

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

2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 118466137) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
PubChem CID118466137
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SC(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S2/c1-2-8-9-3(10-2)11-4(5,6)7/h1H3
InChIKeyVNJUHOYVJBSJIL-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole (CID 118466137) is 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(SC(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is VNJUHOYVJBSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c1-2-8-9-3(10-2)11-4(5,6)7/h1H3.
What are the key properties of 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-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 2-methyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 118466137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).