6-butan-2-yl-4a,9b-dihydrodibenzothiophene

C16H18S — CID 146854747

IUPAC6-butan-2-yl-4a,9b-dihydrodibenzothiophene
SMILESCCC(C)c1cccc2c1SC1C=CC=CC21
InChIInChI=1S/C16H18S/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11,13,15H,3H2,1-2H3
InChIKeySJJFITFDQIJVFF-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.88
Rot. Bonds2

About 6-butan-2-yl-4a,9b-dihydrodibenzothiophene

6-butan-2-yl-4a,9b-dihydrodibenzothiophene (PubChem CID 146854747) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-butan-2-yl-4a,9b-dihydrodibenzothiophene.

Molecular Properties

Compound Name6-butan-2-yl-4a,9b-dihydrodibenzothiophene
PubChem CID146854747
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name6-butan-2-yl-4a,9b-dihydrodibenzothiophene
SMILESCCC(C)c1cccc2c1SC1C=CC=CC21
InChIInChI=1S/C16H18S/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11,13,15H,3H2,1-2H3
InChIKeySJJFITFDQIJVFF-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4a,9b-dihydrodibenzothiophene?
The IUPAC name of 6-butan-2-yl-4a,9b-dihydrodibenzothiophene (CID 146854747) is 6-butan-2-yl-4a,9b-dihydrodibenzothiophene.
What is the SMILES notation for 6-butan-2-yl-4a,9b-dihydrodibenzothiophene?
The canonical SMILES for 6-butan-2-yl-4a,9b-dihydrodibenzothiophene is CCC(C)c1cccc2c1SC1C=CC=CC21.
What is the InChIKey of 6-butan-2-yl-4a,9b-dihydrodibenzothiophene?
The InChIKey is SJJFITFDQIJVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11,13,15H,3H2,1-2H3.
What are the key properties of 6-butan-2-yl-4a,9b-dihydrodibenzothiophene?
6-butan-2-yl-4a,9b-dihydrodibenzothiophene has a molecular weight of 242.39 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4a,9b-dihydrodibenzothiophene is sourced from PubChem (CID 146854747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).