2,3-diethylthiophene;ethylbenzene;propane

C19H30S — CID 159721610

IUPAC2,3-diethylthiophene;ethylbenzene;propane
SMILESCCC.CCc1ccccc1.CCc1ccsc1CC
InChIInChI=1S/C8H12S.C8H10.C3H8/c1-3-7-5-6-9-8(7)4-2;1-2-8-6-4-3-5-7-8;1-3-2/h5-6H,3-4H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3
InChIKeyNACNJZHBARFING-UHFFFAOYSA-N
MW290.52 g/mol
LogP6.54
Rot. Bonds3

About 2,3-diethylthiophene;ethylbenzene;propane

2,3-diethylthiophene;ethylbenzene;propane (PubChem CID 159721610) has the molecular formula C19H30S and a molecular weight of 290.52 g/mol. Its IUPAC name is 2,3-diethylthiophene;ethylbenzene;propane.

Molecular Properties

Compound Name2,3-diethylthiophene;ethylbenzene;propane
PubChem CID159721610
Molecular FormulaC19H30S
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name2,3-diethylthiophene;ethylbenzene;propane
SMILESCCC.CCc1ccccc1.CCc1ccsc1CC
InChIInChI=1S/C8H12S.C8H10.C3H8/c1-3-7-5-6-9-8(7)4-2;1-2-8-6-4-3-5-7-8;1-3-2/h5-6H,3-4H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3
InChIKeyNACNJZHBARFING-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hexylthiophene
CID 87793
2-Octylthiophene
CID 70153
Benzo(B)Thiophene
CID 7221
2,3-Dimethylthiophene
CID 34295
3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
2,5-Diphenylthiophene
CID 74050
Bbifsshxmkxrcb-uhfffaoysa-
CID 3562913
4,4,5,5-Tetramethyl-2-(4-(thiophen-2-yl)phenyl)-1,3,2-dioxaborolane
CID 9795865

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylthiophene;ethylbenzene;propane?
The IUPAC name of 2,3-diethylthiophene;ethylbenzene;propane (CID 159721610) is 2,3-diethylthiophene;ethylbenzene;propane.
What is the SMILES notation for 2,3-diethylthiophene;ethylbenzene;propane?
The canonical SMILES for 2,3-diethylthiophene;ethylbenzene;propane is CCC.CCc1ccccc1.CCc1ccsc1CC.
What is the InChIKey of 2,3-diethylthiophene;ethylbenzene;propane?
The InChIKey is NACNJZHBARFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.C8H10.C3H8/c1-3-7-5-6-9-8(7)4-2;1-2-8-6-4-3-5-7-8;1-3-2/h5-6H,3-4H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3.
What are the key properties of 2,3-diethylthiophene;ethylbenzene;propane?
2,3-diethylthiophene;ethylbenzene;propane has a molecular weight of 290.52 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylthiophene;ethylbenzene;propane is sourced from PubChem (CID 159721610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).