5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole

C9H6Cl2N2O2S — CID 1214865

IUPAC5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H6Cl2N2O2S/c1-14-8-12-9(16-13-8)15-6-4-2-3-5(10)7(6)11/h2-4H,1H3
InChIKeyMVGCTJBZASFURO-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.65
Rot. Bonds3

About 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole

5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole (PubChem CID 1214865) has the molecular formula C9H6Cl2N2O2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole
PubChem CID1214865
Molecular FormulaC9H6Cl2N2O2S
Molecular Weight277.13 g/mol
Exact Mass275.95
IUPAC Name5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H6Cl2N2O2S/c1-14-8-12-9(16-13-8)15-6-4-2-3-5(10)7(6)11/h2-4H,1H3
InChIKeyMVGCTJBZASFURO-UHFFFAOYSA-N
XLogP3.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole?
The IUPAC name of 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole (CID 1214865) is 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole is COc1nsc(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole?
The InChIKey is MVGCTJBZASFURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S/c1-14-8-12-9(16-13-8)15-6-4-2-3-5(10)7(6)11/h2-4H,1H3.
What are the key properties of 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole?
5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole has a molecular weight of 277.13 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenoxy)-3-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 1214865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).