8-methyl-1,2,3,4-tetrahydrodibenzothiophene

C13H14S — CID 600069

IUPAC8-methyl-1,2,3,4-tetrahydrodibenzothiophene
SMILESCc1ccc2sc3c(c2c1)CCCC3
InChIInChI=1S/C13H14S/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8H,2-5H2,1H3
InChIKeyUMLADAJNBJVNDI-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.09
Rot. Bonds

About 8-methyl-1,2,3,4-tetrahydrodibenzothiophene

8-methyl-1,2,3,4-tetrahydrodibenzothiophene (PubChem CID 600069) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydrodibenzothiophene.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydrodibenzothiophene
PubChem CID600069
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name8-methyl-1,2,3,4-tetrahydrodibenzothiophene
SMILESCc1ccc2sc3c(c2c1)CCCC3
InChIInChI=1S/C13H14S/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8H,2-5H2,1H3
InChIKeyUMLADAJNBJVNDI-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4-tetrahydrodibenzothiophene?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydrodibenzothiophene (CID 600069) is 8-methyl-1,2,3,4-tetrahydrodibenzothiophene.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydrodibenzothiophene?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydrodibenzothiophene is Cc1ccc2sc3c(c2c1)CCCC3.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydrodibenzothiophene?
The InChIKey is UMLADAJNBJVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8H,2-5H2,1H3.
What are the key properties of 8-methyl-1,2,3,4-tetrahydrodibenzothiophene?
8-methyl-1,2,3,4-tetrahydrodibenzothiophene has a molecular weight of 202.32 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydrodibenzothiophene is sourced from PubChem (CID 600069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).