3-ethyl-7-propyldibenzothiophene

C17H18S — CID 135251711

IUPAC3-ethyl-7-propyldibenzothiophene
SMILESCCCc1ccc2c(c1)sc1cc(CC)ccc12
InChIInChI=1S/C17H18S/c1-3-5-13-7-9-15-14-8-6-12(4-2)10-16(14)18-17(15)11-13/h6-11H,3-5H2,1-2H3
InChIKeyGBYQLNWQTTWJPC-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.57
Rot. Bonds3

About 3-ethyl-7-propyldibenzothiophene

3-ethyl-7-propyldibenzothiophene (PubChem CID 135251711) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-ethyl-7-propyldibenzothiophene.

Molecular Properties

Compound Name3-ethyl-7-propyldibenzothiophene
PubChem CID135251711
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name3-ethyl-7-propyldibenzothiophene
SMILESCCCc1ccc2c(c1)sc1cc(CC)ccc12
InChIInChI=1S/C17H18S/c1-3-5-13-7-9-15-14-8-6-12(4-2)10-16(14)18-17(15)11-13/h6-11H,3-5H2,1-2H3
InChIKeyGBYQLNWQTTWJPC-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144955696
6-ethyl-3-sulfanyl-1-benzothiophene-2-carbaldehyde
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1,2-diethyl-4-propylbenzene
CID 54363919
7-(4-chlorophenyl)-2-ethyldibenzothiophene
CID 164852807
3-butylthioxanthen-9-one
CID 122699511
3-bromo-2-(chloromethyl)-6-ethyl-1-benzothiophene
CID 131119351
2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine
CID 131218254
8,21-dihexyl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
CID 140541510
6,17-dihexyl-3,11,12,20-tetrathiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,14(19),15,17-octaene
CID 88849765
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
CID 904005
6,16-bis(4-propylphenyl)-5,9,13,17-tetrathiapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,4(8),6,10,14(18),15-heptaene
CID 130310856
3-chloro-6-ethyl-1-benzothiophene
CID 91757441

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-propyldibenzothiophene?
The IUPAC name of 3-ethyl-7-propyldibenzothiophene (CID 135251711) is 3-ethyl-7-propyldibenzothiophene.
What is the SMILES notation for 3-ethyl-7-propyldibenzothiophene?
The canonical SMILES for 3-ethyl-7-propyldibenzothiophene is CCCc1ccc2c(c1)sc1cc(CC)ccc12.
What is the InChIKey of 3-ethyl-7-propyldibenzothiophene?
The InChIKey is GBYQLNWQTTWJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-3-5-13-7-9-15-14-8-6-12(4-2)10-16(14)18-17(15)11-13/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-7-propyldibenzothiophene?
3-ethyl-7-propyldibenzothiophene has a molecular weight of 254.40 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-propyldibenzothiophene is sourced from PubChem (CID 135251711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).