ethane;4-ethyldibenzothiophene

C18H24S — CID 123227550

IUPACethane;4-ethyldibenzothiophene
SMILESCC.CC.CCc1cccc2c1sc1ccccc12
InChIInChI=1S/C14H12S.2C2H6/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;2*1-2/h3-9H,2H2,1H3;2*1-2H3
InChIKeyHQLAVPARQUFUPN-UHFFFAOYSA-N
MW272.46 g/mol
LogP6.67
Rot. Bonds1

About ethane;4-ethyldibenzothiophene

ethane;4-ethyldibenzothiophene (PubChem CID 123227550) has the molecular formula C18H24S and a molecular weight of 272.46 g/mol. Its IUPAC name is ethane;4-ethyldibenzothiophene.

Molecular Properties

Compound Nameethane;4-ethyldibenzothiophene
PubChem CID123227550
Molecular FormulaC18H24S
Molecular Weight272.46 g/mol
Exact Mass272.16
IUPAC Nameethane;4-ethyldibenzothiophene
SMILESCC.CC.CCc1cccc2c1sc1ccccc12
InChIInChI=1S/C14H12S.2C2H6/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;2*1-2/h3-9H,2H2,1H3;2*1-2H3
InChIKeyHQLAVPARQUFUPN-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(dibenzothiophen-4-ylmethyl)benzaldehyde
CID 13147279
2,5-diethylthioxanthen-9-one
CID 18539503
bis(dibenzothiophene);ethane
CID 143921746
N-ethyldibenzothiophen-4-amine
CID 166464988
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-butan-2-yldibenzothiophene
CID 59503099
2-chloro-4-ethylthioxanthen-9-one
CID 71344920
lithium;butane;6-ethyldibenzothiophen-4-ol
CID 87765195
1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
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-(dibenzothiophen-4-ylmethyl)-4-phenylaniline
CID 153216345
dibenzothiophene;ethane;molecular hydrogen
CID 145320534

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyldibenzothiophene?
The IUPAC name of ethane;4-ethyldibenzothiophene (CID 123227550) is ethane;4-ethyldibenzothiophene.
What is the SMILES notation for ethane;4-ethyldibenzothiophene?
The canonical SMILES for ethane;4-ethyldibenzothiophene is CC.CC.CCc1cccc2c1sc1ccccc12.
What is the InChIKey of ethane;4-ethyldibenzothiophene?
The InChIKey is HQLAVPARQUFUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S.2C2H6/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;2*1-2/h3-9H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;4-ethyldibenzothiophene?
ethane;4-ethyldibenzothiophene has a molecular weight of 272.46 g/mol, XLogP of 6.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyldibenzothiophene is sourced from PubChem (CID 123227550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).