2,3,4-triethyl-5-propan-2-ylthiophene

C13H22S — CID 137413356

IUPAC2,3,4-triethyl-5-propan-2-ylthiophene
SMILESCCc1sc(C(C)C)c(CC)c1CC
InChIInChI=1S/C13H22S/c1-6-10-11(7-2)13(9(4)5)14-12(10)8-3/h9H,6-8H2,1-5H3
InChIKeyUPCQLFRFXZLPAD-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.56
Rot. Bonds4

About 2,3,4-triethyl-5-propan-2-ylthiophene

2,3,4-triethyl-5-propan-2-ylthiophene (PubChem CID 137413356) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 2,3,4-triethyl-5-propan-2-ylthiophene.

Molecular Properties

Compound Name2,3,4-triethyl-5-propan-2-ylthiophene
PubChem CID137413356
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2,3,4-triethyl-5-propan-2-ylthiophene
SMILESCCc1sc(C(C)C)c(CC)c1CC
InChIInChI=1S/C13H22S/c1-6-10-11(7-2)13(9(4)5)14-12(10)8-3/h9H,6-8H2,1-5H3
InChIKeyUPCQLFRFXZLPAD-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
CID 176857673
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155737642
3,4-diethyl-5-propan-2-yl-1,2-thiazole
CID 167407500
2,3,4,5,6,7-hexaethyl-1-benzothiophene
CID 71188448
5-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 105434610
ethane;8-ethyl-3,3-bis(4-ethyloctyl)-6-propan-2-yl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 153397172
7-ethyl-8,18,19-tri(propan-2-yl)-3,6,10,16,20,23-hexathia-13-azaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-13-amine
CID 155065280
3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
CID 166458956
ethane;5-ethyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 170954196
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
7-ethyl-8-methyl-18,19-di(propan-2-yl)-3,6,20,23-tetrathia-10,13,16-triazaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaene-10,13,16-triamine
CID 155065279
4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
CID 176926524

Frequently Asked Questions

What is the IUPAC name of 2,3,4-triethyl-5-propan-2-ylthiophene?
The IUPAC name of 2,3,4-triethyl-5-propan-2-ylthiophene (CID 137413356) is 2,3,4-triethyl-5-propan-2-ylthiophene.
What is the SMILES notation for 2,3,4-triethyl-5-propan-2-ylthiophene?
The canonical SMILES for 2,3,4-triethyl-5-propan-2-ylthiophene is CCc1sc(C(C)C)c(CC)c1CC.
What is the InChIKey of 2,3,4-triethyl-5-propan-2-ylthiophene?
The InChIKey is UPCQLFRFXZLPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-6-10-11(7-2)13(9(4)5)14-12(10)8-3/h9H,6-8H2,1-5H3.
What are the key properties of 2,3,4-triethyl-5-propan-2-ylthiophene?
2,3,4-triethyl-5-propan-2-ylthiophene has a molecular weight of 210.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triethyl-5-propan-2-ylthiophene is sourced from PubChem (CID 137413356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).