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

C5H8N2S2 — CID 21403838

IUPAC3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole
SMILESCCc1nsc(SC)n1
InChIInChI=1S/C5H8N2S2/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3
InChIKeyHRDLLEPCHYTJMQ-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.82
Rot. Bonds2

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

3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 21403838) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole
PubChem CID21403838
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole
SMILESCCc1nsc(SC)n1
InChIInChI=1S/C5H8N2S2/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3
InChIKeyHRDLLEPCHYTJMQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
3-Ethyl-5-fluoro-1,2,4-thiadiazole
CID 123276911
(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl-trifluoroboranuide
CID 80431154
3-Ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-thiadiazole
CID 131206872
3-Methyl-5-(methylsulfanyl)-1,2,4-thiadiazole
CID 21403821
3-Methyl-5-prop-2-ynylsulfanyl-1,2,4-thiadiazole
CID 21403840
5-Methylsulfanyl-3-propyl-1,2,4-thiadiazole
CID 21403844
3-Ethyl-5-prop-2-ynylsulfanyl-1,2,4-thiadiazole
CID 21403850
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
CID 54159040
5-Ethylsulfanyl-3-methyl-1,2,4-thiadiazole
CID 54555011
Dimethyl (3-methyl-1,2,4-thiadiazol-5-yl)carbonimidodithioate
CID 58088048
3-Ethyl-5-iodo-1,2,4-thiadiazole
CID 68199501

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole (CID 21403838) is 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole is CCc1nsc(SC)n1.
What is the InChIKey of 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is HRDLLEPCHYTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole?
3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 160.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 21403838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).