2,4,7-trimethyldibenzothiophene

C15H14S — CID 6428292

IUPAC2,4,7-trimethyldibenzothiophene
SMILESCc1ccc2c(c1)sc1c(C)cc(C)cc12
InChIInChI=1S/C15H14S/c1-9-4-5-12-13-7-10(2)6-11(3)15(13)16-14(12)8-9/h4-8H,1-3H3
InChIKeyYDWNRDFOOADVGC-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.98
Rot. Bonds

About 2,4,7-trimethyldibenzothiophene

2,4,7-trimethyldibenzothiophene (PubChem CID 6428292) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,4,7-trimethyldibenzothiophene.

Molecular Properties

Compound Name2,4,7-trimethyldibenzothiophene
PubChem CID6428292
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name2,4,7-trimethyldibenzothiophene
SMILESCc1ccc2c(c1)sc1c(C)cc(C)cc12
InChIInChI=1S/C15H14S/c1-9-4-5-12-13-7-10(2)6-11(3)15(13)16-14(12)8-9/h4-8H,1-3H3
InChIKeyYDWNRDFOOADVGC-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzothiophene
CID 3023
Benzo(b)naphtho(2,1-d)thiophene
CID 9198
5-Methylbenzo[b]thiophene-2-boronic acid
CID 2794641
4,6-Dimethyldibenzothiophene
CID 71012
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
5-Methylbenzo(b)thiophene
CID 84346
2-(2-Naphthyl)-1-thiaindene
CID 253238
Phenanthro(3,4-b)thiophene
CID 160441
Phenanthro(4,3-b)thiophene
CID 164557
3-(2-Naphthyl)-1-thiaindene
CID 294854
4-Iododibenzothiophene
CID 458353

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyldibenzothiophene?
The IUPAC name of 2,4,7-trimethyldibenzothiophene (CID 6428292) is 2,4,7-trimethyldibenzothiophene.
What is the SMILES notation for 2,4,7-trimethyldibenzothiophene?
The canonical SMILES for 2,4,7-trimethyldibenzothiophene is Cc1ccc2c(c1)sc1c(C)cc(C)cc12.
What is the InChIKey of 2,4,7-trimethyldibenzothiophene?
The InChIKey is YDWNRDFOOADVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-9-4-5-12-13-7-10(2)6-11(3)15(13)16-14(12)8-9/h4-8H,1-3H3.
What are the key properties of 2,4,7-trimethyldibenzothiophene?
2,4,7-trimethyldibenzothiophene has a molecular weight of 226.34 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyldibenzothiophene is sourced from PubChem (CID 6428292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).