3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one

C11H9ClN2O2S — CID 57159960

IUPAC3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one
SMILESCc1ccc(Oc2nsnc(Cl)c2=O)c(C)c1
InChIInChI=1S/C11H9ClN2O2S/c1-6-3-4-8(7(2)5-6)16-11-9(15)10(12)13-17-14-11/h3-5H,1-2H3
InChIKeyJGNFSYJUJZXXNS-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.96
Rot. Bonds2

About 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one

3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one (PubChem CID 57159960) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one
PubChem CID57159960
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one
SMILESCc1ccc(Oc2nsnc(Cl)c2=O)c(C)c1
InChIInChI=1S/C11H9ClN2O2S/c1-6-3-4-8(7(2)5-6)16-11-9(15)10(12)13-17-14-11/h3-5H,1-2H3
InChIKeyJGNFSYJUJZXXNS-UHFFFAOYSA-N
XLogP2.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one
CID 57093883
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one
CID 134104508
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
3-chloro-5-(4-fluorophenoxy)-1,2,6-thiadiazin-4-one
CID 15593692
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 63550126
1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
CID 123528023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one?
The IUPAC name of 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one (CID 57159960) is 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one.
What is the SMILES notation for 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one?
The canonical SMILES for 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one is Cc1ccc(Oc2nsnc(Cl)c2=O)c(C)c1.
What is the InChIKey of 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one?
The InChIKey is JGNFSYJUJZXXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-6-3-4-8(7(2)5-6)16-11-9(15)10(12)13-17-14-11/h3-5H,1-2H3.
What are the key properties of 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one?
3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one has a molecular weight of 268.73 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one is sourced from PubChem (CID 57159960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).