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

C5H8N2S2 — CID 142566038

IUPAC5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
SMILESCSCc1nsc(C)n1
InChIInChI=1S/C5H8N2S2/c1-4-6-5(3-8-2)7-9-4/h3H2,1-2H3
InChIKeyQADRBYQXKGBCEJ-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.71
Rot. Bonds2

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

5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole (PubChem CID 142566038) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
PubChem CID142566038
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole
SMILESCSCc1nsc(C)n1
InChIInChI=1S/C5H8N2S2/c1-4-6-5(3-8-2)7-9-4/h3H2,1-2H3
InChIKeyQADRBYQXKGBCEJ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-1,2,4-thiadiazole
CID 13028086
5-Chloro-3-((methylthio)methyl)-1,2,4-thiadiazole
CID 54274939
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Methyl-3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170698
3-(Methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 62691499
(5-Methyl-1,2,4-thiadiazol-3-yl)methanethiol
CID 20699673
5-(Ethylsulfonylmethyl)-3-methyl-1,2,4-thiadiazole
CID 21031012
3-Ethylsulfanyl-5-methyl-1,2,4-thiadiazole
CID 21052294
5-Methyl-3-methylsulfanyl-1,2,4-thiadiazole
CID 21365791
3-N,3-N,5-N,5-N-tetrakis(ethylsulfanyl)-1,2,4-thiadiazole-3,5-dicarbothioamide
CID 22407691
3-Ethyl-5-methyl-1,2,4-thiadiazole
CID 22947825
5-Ethyl-3-methyl-1,2,4-thiadiazole
CID 23528320

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole (CID 142566038) is 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole is CSCc1nsc(C)n1.
What is the InChIKey of 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
The InChIKey is QADRBYQXKGBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-4-6-5(3-8-2)7-9-4/h3H2,1-2H3.
What are the key properties of 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole?
5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylsulfanylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 142566038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).