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

C10H5Cl3N2O2S — CID 134104508

IUPAC3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one
SMILESCc1cc(Cl)c(Oc2nsnc(Cl)c2=O)c(Cl)c1
InChIInChI=1S/C10H5Cl3N2O2S/c1-4-2-5(11)8(6(12)3-4)17-10-7(16)9(13)14-18-15-10/h2-3H,1H3
InChIKeyACBGWYSZZBBHIV-UHFFFAOYSA-N
MW323.59 g/mol
LogP3.96
Rot. Bonds2

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

3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one (PubChem CID 134104508) has the molecular formula C10H5Cl3N2O2S and a molecular weight of 323.59 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one
PubChem CID134104508
Molecular FormulaC10H5Cl3N2O2S
Molecular Weight323.59 g/mol
Exact Mass321.91
IUPAC Name3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one
SMILESCc1cc(Cl)c(Oc2nsnc(Cl)c2=O)c(Cl)c1
InChIInChI=1S/C10H5Cl3N2O2S/c1-4-2-5(11)8(6(12)3-4)17-10-7(16)9(13)14-18-15-10/h2-3H,1H3
InChIKeyACBGWYSZZBBHIV-UHFFFAOYSA-N
XLogP3.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one?
The IUPAC name of 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one (CID 134104508) is 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one.
What is the SMILES notation for 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one?
The canonical SMILES for 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one is Cc1cc(Cl)c(Oc2nsnc(Cl)c2=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one?
The InChIKey is ACBGWYSZZBBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O2S/c1-4-2-5(11)8(6(12)3-4)17-10-7(16)9(13)14-18-15-10/h2-3H,1H3.
What are the key properties of 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one?
3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one has a molecular weight of 323.59 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one is sourced from PubChem (CID 134104508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).