3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole

C11H10Cl2N2S2 — CID 169015875

IUPAC3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole
SMILESCCSc1nc(Cc2c(Cl)cccc2Cl)ns1
InChIInChI=1S/C11H10Cl2N2S2/c1-2-16-11-14-10(15-17-11)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3
InChIKeyGLRLVGDBMMHAFB-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.55
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole

3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole (PubChem CID 169015875) has the molecular formula C11H10Cl2N2S2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole
PubChem CID169015875
Molecular FormulaC11H10Cl2N2S2
Molecular Weight305.26 g/mol
Exact Mass303.97
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole
SMILESCCSc1nc(Cc2c(Cl)cccc2Cl)ns1
InChIInChI=1S/C11H10Cl2N2S2/c1-2-16-11-14-10(15-17-11)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3
InChIKeyGLRLVGDBMMHAFB-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole (CID 169015875) is 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole is CCSc1nc(Cc2c(Cl)cccc2Cl)ns1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole?
The InChIKey is GLRLVGDBMMHAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S2/c1-2-16-11-14-10(15-17-11)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole?
3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole has a molecular weight of 305.26 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-5-ethylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 169015875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).