2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole

C4H4F2N2S2 — CID 130658941

IUPAC2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
SMILESFC(F)CSc1nncs1
InChIInChI=1S/C4H4F2N2S2/c5-3(6)1-9-4-8-7-2-10-4/h2-3H,1H2
InChIKeyQGKVSIMYWBSOAK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.90
Rot. Bonds3

About 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole

2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 130658941) has the molecular formula C4H4F2N2S2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
PubChem CID130658941
Molecular FormulaC4H4F2N2S2
Molecular Weight182.22 g/mol
Exact Mass181.98
IUPAC Name2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
SMILESFC(F)CSc1nncs1
InChIInChI=1S/C4H4F2N2S2/c5-3(6)1-9-4-8-7-2-10-4/h2-3H,1H2
InChIKeyQGKVSIMYWBSOAK-UHFFFAOYSA-N
XLogP1.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole (CID 130658941) is 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole is FC(F)CSc1nncs1.
What is the InChIKey of 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is QGKVSIMYWBSOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S2/c5-3(6)1-9-4-8-7-2-10-4/h2-3H,1H2.
What are the key properties of 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole?
2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 182.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130658941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).