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

C5H8N2S2 — CID 21052294

IUPAC3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole
SMILESCCSc1nsc(C)n1
InChIInChI=1S/C5H8N2S2/c1-3-8-5-6-4(2)9-7-5/h3H2,1-2H3
InChIKeyZXSRXHDTYUQWQG-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.96
Rot. Bonds2

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

3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole (PubChem CID 21052294) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole
PubChem CID21052294
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole
SMILESCCSc1nsc(C)n1
InChIInChI=1S/C5H8N2S2/c1-3-8-5-6-4(2)9-7-5/h3H2,1-2H3
InChIKeyZXSRXHDTYUQWQG-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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Related Compounds

5-Chloro-3-((methylthio)methyl)-1,2,4-thiadiazole
CID 54274939
5-Methyl-3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170698
5-Methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170707
3-(Methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 62691499
(5-Methyl-1,2,4-thiadiazol-3-yl)methanethiol
CID 20699673
5-Methyl-3-methylsulfanyl-1,2,4-thiadiazole
CID 21365791
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
CID 54159040
5-Ethylsulfanyl-3-methyl-1,2,4-thiadiazole
CID 54555011
(3-Methyl-1,2,4-thiadiazol-5-yl)methanethiol
CID 57260787
Dimethyl (3-methyl-1,2,4-thiadiazol-5-yl)carbonimidodithioate
CID 58088048
5-Methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole
CID 58663760
S-(5-methyl-1,2,4-thiadiazol-3-yl) ethanethioate
CID 59269331

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole (CID 21052294) is 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole is CCSc1nsc(C)n1.
What is the InChIKey of 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole?
The InChIKey is ZXSRXHDTYUQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-3-8-5-6-4(2)9-7-5/h3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole?
3-ethylsulfanyl-5-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 3-ethylsulfanyl-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 21052294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).