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

C10H8Cl2N2OS — CID 61057608

IUPAC3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
SMILESCc1cc(Oc2nsnc2Cl)cc(C)c1Cl
InChIInChI=1S/C10H8Cl2N2OS/c1-5-3-7(4-6(2)8(5)11)15-10-9(12)13-16-14-10/h3-4H,1-2H3
InChIKeySULPDJNZXPIHPY-UHFFFAOYSA-N
MW275.16 g/mol
LogP4.25
Rot. Bonds2

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

3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole (PubChem CID 61057608) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
PubChem CID61057608
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
SMILESCc1cc(Oc2nsnc2Cl)cc(C)c1Cl
InChIInChI=1S/C10H8Cl2N2OS/c1-5-3-7(4-6(2)8(5)11)15-10-9(12)13-16-14-10/h3-4H,1-2H3
InChIKeySULPDJNZXPIHPY-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole (CID 61057608) is 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole is Cc1cc(Oc2nsnc2Cl)cc(C)c1Cl.
What is the InChIKey of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
The InChIKey is SULPDJNZXPIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-5-3-7(4-6(2)8(5)11)15-10-9(12)13-16-14-10/h3-4H,1-2H3.
What are the key properties of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole has a molecular weight of 275.16 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 61057608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).