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

C4H6N2S2 — CID 21403821

IUPAC3-methyl-5-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nc(C)ns1
InChIInChI=1S/C4H6N2S2/c1-3-5-4(7-2)8-6-3/h1-2H3
InChIKeyLDKHLTLTGGUBOG-UHFFFAOYSA-N
MW146.24 g/mol
LogP1.57
Rot. Bonds1

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

3-methyl-5-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 21403821) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-1,2,4-thiadiazole
PubChem CID21403821
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Name3-methyl-5-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nc(C)ns1
InChIInChI=1S/C4H6N2S2/c1-3-5-4(7-2)8-6-3/h1-2H3
InChIKeyLDKHLTLTGGUBOG-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole (CID 21403821) is 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole is CSc1nc(C)ns1.
What is the InChIKey of 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is LDKHLTLTGGUBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c1-3-5-4(7-2)8-6-3/h1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole?
3-methyl-5-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 146.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 21403821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).