2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene

C28H30O4S5 — CID 163890490

IUPAC2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene
SMILESCCOc1ccsc1C1=C(c2sccc2OCC)C(c2sccc2OCC)C(c2sccc2OCC)S1
InChIInChI=1S/C28H30O4S5/c1-5-29-17-9-13-33-23(17)21-22(24-18(30-6-2)10-14-34-24)28(26-20(32-8-4)12-16-36-26)37-27(21)25-19(31-7-3)11-15-35-25/h9-16,21,27H,5-8H2,1-4H3
InChIKeyQBCJUGGKSBFAFG-UHFFFAOYSA-N
MW590.88 g/mol
LogP9.67
Rot. Bonds12

About 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene

2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene (PubChem CID 163890490) has the molecular formula C28H30O4S5 and a molecular weight of 590.88 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene
PubChem CID163890490
Molecular FormulaC28H30O4S5
Molecular Weight590.88 g/mol
Exact Mass590.07
IUPAC Name2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene
SMILESCCOc1ccsc1C1=C(c2sccc2OCC)C(c2sccc2OCC)C(c2sccc2OCC)S1
InChIInChI=1S/C28H30O4S5/c1-5-29-17-9-13-33-23(17)21-22(24-18(30-6-2)10-14-34-24)28(26-20(32-8-4)12-16-36-26)37-27(21)25-19(31-7-3)11-15-35-25/h9-16,21,27H,5-8H2,1-4H3
InChIKeyQBCJUGGKSBFAFG-UHFFFAOYSA-N
XLogP9.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.88
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
CID 142472775
ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
CID 142472719
[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 142472649
3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene
CID 139212118
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
7-ethoxy-1-benzothiophene
CID 68789103
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
2-(4-ethoxy-2,3-difluorophenyl)thiophene
CID 143775731
2-azido-1-(3-ethoxythiophen-2-yl)ethanone
CID 150504144
7-bromo-6-ethoxy-1-benzothiophen-4-amine
CID 131031142
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene (CID 163890490) is 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene is CCOc1ccsc1C1=C(c2sccc2OCC)C(c2sccc2OCC)C(c2sccc2OCC)S1.
What is the InChIKey of 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene?
The InChIKey is QBCJUGGKSBFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O4S5/c1-5-29-17-9-13-33-23(17)21-22(24-18(30-6-2)10-14-34-24)28(26-20(32-8-4)12-16-36-26)37-27(21)25-19(31-7-3)11-15-35-25/h9-16,21,27H,5-8H2,1-4H3.
What are the key properties of 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene?
2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene has a molecular weight of 590.88 g/mol, XLogP of 9.67, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 163890490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).