1-methyldibenzothiophene

C13H10S — CID 23839

IUPAC1-methyldibenzothiophene
SMILESCc1cccc2sc3ccccc3c12
InChIInChI=1S/C13H10S/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3
InChIKeyHORCQSAKJDDBKB-UHFFFAOYSA-N
MW198.29 g/mol
LogP4.36
Rot. Bonds

About 1-methyldibenzothiophene

1-methyldibenzothiophene (PubChem CID 23839) has the molecular formula C13H10S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyldibenzothiophene.

Molecular Properties

Compound Name1-methyldibenzothiophene
PubChem CID23839
Molecular FormulaC13H10S
Molecular Weight198.29 g/mol
Exact Mass198.05
IUPAC Name1-methyldibenzothiophene
SMILESCc1cccc2sc3ccccc3c12
InChIInChI=1S/C13H10S/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3
InChIKeyHORCQSAKJDDBKB-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
8-iodo-1-methyldibenzothiophene
CID 149218010
1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
CID 175613525
bis(dibenzothiophene);ethane
CID 143921746
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
4-bromo-1-methyldibenzothiophene
CID 123624432
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455

Frequently Asked Questions

What is the IUPAC name of 1-methyldibenzothiophene?
The IUPAC name of 1-methyldibenzothiophene (CID 23839) is 1-methyldibenzothiophene.
What is the SMILES notation for 1-methyldibenzothiophene?
The canonical SMILES for 1-methyldibenzothiophene is Cc1cccc2sc3ccccc3c12.
What is the InChIKey of 1-methyldibenzothiophene?
The InChIKey is HORCQSAKJDDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3.
What are the key properties of 1-methyldibenzothiophene?
1-methyldibenzothiophene has a molecular weight of 198.29 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyldibenzothiophene is sourced from PubChem (CID 23839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).