2-methyldibenzothiophene 5-oxide

C13H10OS — CID 102526913

IUPAC2-methyldibenzothiophene 5-oxide
SMILESCc1ccc2c(c1)-c1ccccc1S2=O
InChIInChI=1S/C13H10OS/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13)14/h2-8H,1H3
InChIKeyIEBZHDZOYIHUHA-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.14
Rot. Bonds

About 2-methyldibenzothiophene 5-oxide

2-methyldibenzothiophene 5-oxide (PubChem CID 102526913) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methyldibenzothiophene 5-oxide.

Molecular Properties

Compound Name2-methyldibenzothiophene 5-oxide
PubChem CID102526913
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name2-methyldibenzothiophene 5-oxide
SMILESCc1ccc2c(c1)-c1ccccc1S2=O
InChIInChI=1S/C13H10OS/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13)14/h2-8H,1H3
InChIKeyIEBZHDZOYIHUHA-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dibenzothiophene 5-oxide
CID 13898
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Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzothiophene 5-oxide?
The IUPAC name of 2-methyldibenzothiophene 5-oxide (CID 102526913) is 2-methyldibenzothiophene 5-oxide.
What is the SMILES notation for 2-methyldibenzothiophene 5-oxide?
The canonical SMILES for 2-methyldibenzothiophene 5-oxide is Cc1ccc2c(c1)-c1ccccc1S2=O.
What is the InChIKey of 2-methyldibenzothiophene 5-oxide?
The InChIKey is IEBZHDZOYIHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15(13)14/h2-8H,1H3.
What are the key properties of 2-methyldibenzothiophene 5-oxide?
2-methyldibenzothiophene 5-oxide has a molecular weight of 214.29 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzothiophene 5-oxide is sourced from PubChem (CID 102526913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).