5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole

C5H7ClN2S2 — CID 22726765

IUPAC5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole
SMILESCCSCc1nsc(Cl)n1
InChIInChI=1S/C5H7ClN2S2/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyZEYXKJOVFZQZPS-UHFFFAOYSA-N
MW194.71 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole

5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole (PubChem CID 22726765) has the molecular formula C5H7ClN2S2 and a molecular weight of 194.71 g/mol. Its IUPAC name is 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole
PubChem CID22726765
Molecular FormulaC5H7ClN2S2
Molecular Weight194.71 g/mol
Exact Mass193.97
IUPAC Name5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole
SMILESCCSCc1nsc(Cl)n1
InChIInChI=1S/C5H7ClN2S2/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyZEYXKJOVFZQZPS-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole (CID 22726765) is 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole is CCSCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole?
The InChIKey is ZEYXKJOVFZQZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S2/c1-2-9-3-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole?
5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole has a molecular weight of 194.71 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 22726765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).