3,7-dimethyldibenzothiophene

C14H12S — CID 12659189

IUPAC3,7-dimethyldibenzothiophene
SMILESCc1ccc2c(c1)sc1cc(C)ccc12
InChIInChI=1S/C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8H,1-2H3
InChIKeyONJGEBKWOANHSB-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.67
Rot. Bonds

About 3,7-dimethyldibenzothiophene

3,7-dimethyldibenzothiophene (PubChem CID 12659189) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3,7-dimethyldibenzothiophene.

Molecular Properties

Compound Name3,7-dimethyldibenzothiophene
PubChem CID12659189
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name3,7-dimethyldibenzothiophene
SMILESCc1ccc2c(c1)sc1cc(C)ccc12
InChIInChI=1S/C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8H,1-2H3
InChIKeyONJGEBKWOANHSB-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldibenzothiophene?
The IUPAC name of 3,7-dimethyldibenzothiophene (CID 12659189) is 3,7-dimethyldibenzothiophene.
What is the SMILES notation for 3,7-dimethyldibenzothiophene?
The canonical SMILES for 3,7-dimethyldibenzothiophene is Cc1ccc2c(c1)sc1cc(C)ccc12.
What is the InChIKey of 3,7-dimethyldibenzothiophene?
The InChIKey is ONJGEBKWOANHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9/h3-8H,1-2H3.
What are the key properties of 3,7-dimethyldibenzothiophene?
3,7-dimethyldibenzothiophene has a molecular weight of 212.32 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldibenzothiophene is sourced from PubChem (CID 12659189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).