2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine

C14H8Cl4OS — CID 14833146

IUPAC2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine
SMILESCc1c(Cl)cc2c(c1Cl)Oc1c(cc(Cl)c(C)c1Cl)S2
InChIInChI=1S/C14H8Cl4OS/c1-5-7(15)3-9-13(11(5)17)19-14-10(20-9)4-8(16)6(2)12(14)18/h3-4H,1-2H3
InChIKeyAPRIBYCKCBZTJJ-UHFFFAOYSA-N
MW366.10 g/mol
LogP7.17
Rot. Bonds

About 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine

2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine (PubChem CID 14833146) has the molecular formula C14H8Cl4OS and a molecular weight of 366.10 g/mol. Its IUPAC name is 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine.

Molecular Properties

Compound Name2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine
PubChem CID14833146
Molecular FormulaC14H8Cl4OS
Molecular Weight366.10 g/mol
Exact Mass363.90
IUPAC Name2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine
SMILESCc1c(Cl)cc2c(c1Cl)Oc1c(cc(Cl)c(C)c1Cl)S2
InChIInChI=1S/C14H8Cl4OS/c1-5-7(15)3-9-13(11(5)17)19-14-10(20-9)4-8(16)6(2)12(14)18/h3-4H,1-2H3
InChIKeyAPRIBYCKCBZTJJ-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine?
The IUPAC name of 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine (CID 14833146) is 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine.
What is the SMILES notation for 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine?
The canonical SMILES for 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine is Cc1c(Cl)cc2c(c1Cl)Oc1c(cc(Cl)c(C)c1Cl)S2.
What is the InChIKey of 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine?
The InChIKey is APRIBYCKCBZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4OS/c1-5-7(15)3-9-13(11(5)17)19-14-10(20-9)4-8(16)6(2)12(14)18/h3-4H,1-2H3.
What are the key properties of 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine?
2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine has a molecular weight of 366.10 g/mol, XLogP of 7.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetrachloro-3,7-dimethylphenoxathiine is sourced from PubChem (CID 14833146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).