4-butan-2-yldibenzothiophene

C16H16S — CID 59503099

IUPAC4-butan-2-yldibenzothiophene
SMILESCCC(C)c1cccc2c1sc1ccccc12
InChIInChI=1S/C16H16S/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11H,3H2,1-2H3
InChIKeyRPNDLMUZUZAARU-UHFFFAOYSA-N
MW240.37 g/mol
LogP5.57
Rot. Bonds2

About 4-butan-2-yldibenzothiophene

4-butan-2-yldibenzothiophene (PubChem CID 59503099) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-butan-2-yldibenzothiophene.

Molecular Properties

Compound Name4-butan-2-yldibenzothiophene
PubChem CID59503099
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name4-butan-2-yldibenzothiophene
SMILESCCC(C)c1cccc2c1sc1ccccc12
InChIInChI=1S/C16H16S/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11H,3H2,1-2H3
InChIKeyRPNDLMUZUZAARU-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.37
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-butan-2-yl-4-chlorophenyl)dibenzothiophene
CID 144660308
ethane;4-ethyldibenzothiophene
CID 123227550
N-ethyldibenzothiophen-4-amine
CID 166464988
4-(dichloromethyl)thioxanthen-9-one
CID 68549229
1-[(2S)-hexan-2-yl]dibenzothiophene
CID 122642723
4-butan-2-yldibenzothiophene;ethane;2-methyl-N-phenylbutanamide;phenyl 2,2-dimethylbutanoate;2-phenylethyl 2-methylbutanoate
CID 161187255
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 21395154
N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide
CID 147325589
bis(dibenzothiophene);ethane
CID 143921746
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yldibenzothiophene?
The IUPAC name of 4-butan-2-yldibenzothiophene (CID 59503099) is 4-butan-2-yldibenzothiophene.
What is the SMILES notation for 4-butan-2-yldibenzothiophene?
The canonical SMILES for 4-butan-2-yldibenzothiophene is CCC(C)c1cccc2c1sc1ccccc12.
What is the InChIKey of 4-butan-2-yldibenzothiophene?
The InChIKey is RPNDLMUZUZAARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-3-11(2)12-8-6-9-14-13-7-4-5-10-15(13)17-16(12)14/h4-11H,3H2,1-2H3.
What are the key properties of 4-butan-2-yldibenzothiophene?
4-butan-2-yldibenzothiophene has a molecular weight of 240.37 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yldibenzothiophene is sourced from PubChem (CID 59503099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).