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

C9H6Cl2N2OS — CID 60726066

IUPAC3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
SMILESCc1ccc(Cl)c(Oc2nsnc2Cl)c1
InChIInChI=1S/C9H6Cl2N2OS/c1-5-2-3-6(10)7(4-5)14-9-8(11)12-15-13-9/h2-4H,1H3
InChIKeyWHOCNVMCTRGDNY-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.95
Rot. Bonds2

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

3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole (PubChem CID 60726066) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
PubChem CID60726066
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
SMILESCc1ccc(Cl)c(Oc2nsnc2Cl)c1
InChIInChI=1S/C9H6Cl2N2OS/c1-5-2-3-6(10)7(4-5)14-9-8(11)12-15-13-9/h2-4H,1H3
InChIKeyWHOCNVMCTRGDNY-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
CID 55229856
3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one
CID 57159960
3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 133424572
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole (CID 60726066) is 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole is Cc1ccc(Cl)c(Oc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole?
The InChIKey is WHOCNVMCTRGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c1-5-2-3-6(10)7(4-5)14-9-8(11)12-15-13-9/h2-4H,1H3.
What are the key properties of 3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole has a molecular weight of 261.13 g/mol, XLogP of 3.95, 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-chloro-5-methylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 60726066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).