5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole

C5H8N2S2 — CID 54555011

IUPAC5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole
SMILESCCSc1nc(C)ns1
InChIInChI=1S/C5H8N2S2/c1-3-8-5-6-4(2)7-9-5/h3H2,1-2H3
InChIKeyZMOAFBJXGWVVIX-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.96
Rot. Bonds2

About 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole

5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole (PubChem CID 54555011) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole
PubChem CID54555011
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole
SMILESCCSc1nc(C)ns1
InChIInChI=1S/C5H8N2S2/c1-3-8-5-6-4(2)7-9-5/h3H2,1-2H3
InChIKeyZMOAFBJXGWVVIX-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole (CID 54555011) is 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole is CCSc1nc(C)ns1.
What is the InChIKey of 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZMOAFBJXGWVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-3-8-5-6-4(2)7-9-5/h3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole?
5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 54555011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).