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

C8H3Cl3N2OS — CID 60726221

IUPAC3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
SMILESClc1ccc(Cl)c(Oc2nsnc2Cl)c1
InChIInChI=1S/C8H3Cl3N2OS/c9-4-1-2-5(10)6(3-4)14-8-7(11)12-15-13-8/h1-3H
InChIKeyWFGFBHVZEUYVLH-UHFFFAOYSA-N
MW281.55 g/mol
LogP4.29
Rot. Bonds2

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

3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole (PubChem CID 60726221) has the molecular formula C8H3Cl3N2OS and a molecular weight of 281.55 g/mol. Its IUPAC name is 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
PubChem CID60726221
Molecular FormulaC8H3Cl3N2OS
Molecular Weight281.55 g/mol
Exact Mass279.90
IUPAC Name3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
SMILESClc1ccc(Cl)c(Oc2nsnc2Cl)c1
InChIInChI=1S/C8H3Cl3N2OS/c9-4-1-2-5(10)6(3-4)14-8-7(11)12-15-13-8/h1-3H
InChIKeyWFGFBHVZEUYVLH-UHFFFAOYSA-N
XLogP4.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
CID 15050036
3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one
CID 57093883
1-chloro-4-(2,5-dichlorophenoxy)phthalazine
CID 62140044
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
2-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole (CID 60726221) is 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole is Clc1ccc(Cl)c(Oc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole?
The InChIKey is WFGFBHVZEUYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3N2OS/c9-4-1-2-5(10)6(3-4)14-8-7(11)12-15-13-8/h1-3H.
What are the key properties of 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole?
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole has a molecular weight of 281.55 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 60726221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).