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

C8H4Cl2N2OS — CID 15050036

IUPAC3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
SMILESClc1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C8H4Cl2N2OS/c9-5-1-3-6(4-2-5)13-8-7(10)11-14-12-8/h1-4H
InChIKeyGVYFIKAGOUFQSK-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.64
Rot. Bonds2

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

3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole (PubChem CID 15050036) has the molecular formula C8H4Cl2N2OS and a molecular weight of 247.11 g/mol. Its IUPAC name is 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
PubChem CID15050036
Molecular FormulaC8H4Cl2N2OS
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Name3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
SMILESClc1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C8H4Cl2N2OS/c9-5-1-3-6(4-2-5)13-8-7(10)11-14-12-8/h1-4H
InChIKeyGVYFIKAGOUFQSK-UHFFFAOYSA-N
XLogP3.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 60726053
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753885
3-chloro-5-(4-fluorophenoxy)-1,2,6-thiadiazin-4-one
CID 15593692
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458
3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
CID 81036456

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole (CID 15050036) is 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole is Clc1ccc(Oc2nsnc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole?
The InChIKey is GVYFIKAGOUFQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2OS/c9-5-1-3-6(4-2-5)13-8-7(10)11-14-12-8/h1-4H.
What are the key properties of 3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole?
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole has a molecular weight of 247.11 g/mol, XLogP of 3.64, 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-chlorophenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 15050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).