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

C4H5ClN2S2 — CID 10821262

IUPAC3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole
SMILESCCSc1nsnc1Cl
InChIInChI=1S/C4H5ClN2S2/c1-2-8-4-3(5)6-9-7-4/h2H2,1H3
InChIKeyLXLKYYUEMFRXSF-UHFFFAOYSA-N
MW180.69 g/mol
LogP2.30
Rot. Bonds2

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

3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole (PubChem CID 10821262) has the molecular formula C4H5ClN2S2 and a molecular weight of 180.69 g/mol. Its IUPAC name is 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole
PubChem CID10821262
Molecular FormulaC4H5ClN2S2
Molecular Weight180.69 g/mol
Exact Mass179.96
IUPAC Name3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole
SMILESCCSc1nsnc1Cl
InChIInChI=1S/C4H5ClN2S2/c1-2-8-4-3(5)6-9-7-4/h2H2,1H3
InChIKeyLXLKYYUEMFRXSF-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole (CID 10821262) is 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole is CCSc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole?
The InChIKey is LXLKYYUEMFRXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S2/c1-2-8-4-3(5)6-9-7-4/h2H2,1H3.
What are the key properties of 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole?
3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole has a molecular weight of 180.69 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethylsulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 10821262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).