5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole

C10H9ClN2OS2 — CID 63649178

IUPAC5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
SMILESCSc1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C10H9ClN2OS2/c1-15-9-5-3-2-4-8(9)14-6-7-10(11)16-13-12-7/h2-5H,6H2,1H3
InChIKeyMMFISVKWSZPPFL-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.49
Rot. Bonds4

About 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole

5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole (PubChem CID 63649178) has the molecular formula C10H9ClN2OS2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
PubChem CID63649178
Molecular FormulaC10H9ClN2OS2
Molecular Weight272.78 g/mol
Exact Mass271.98
IUPAC Name5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
SMILESCSc1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C10H9ClN2OS2/c1-15-9-5-3-2-4-8(9)14-6-7-10(11)16-13-12-7/h2-5H,6H2,1H3
InChIKeyMMFISVKWSZPPFL-UHFFFAOYSA-N
XLogP3.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole (CID 63649178) is 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole is CSc1ccccc1OCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole?
The InChIKey is MMFISVKWSZPPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS2/c1-15-9-5-3-2-4-8(9)14-6-7-10(11)16-13-12-7/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole?
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole has a molecular weight of 272.78 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole is sourced from PubChem (CID 63649178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).