3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene

C18H20O3S3 — CID 139212118

IUPAC3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene
SMILESCCOc1csc(-c2sc(-c3sccc3OCC)cc2OCC)c1
InChIInChI=1S/C18H20O3S3/c1-4-19-12-9-15(23-11-12)18-14(21-6-3)10-16(24-18)17-13(20-5-2)7-8-22-17/h7-11H,4-6H2,1-3H3
InChIKeyZJIDRDNFPZGHRB-UHFFFAOYSA-N
MW380.56 g/mol
LogP6.40
Rot. Bonds8

About 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene

3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene (PubChem CID 139212118) has the molecular formula C18H20O3S3 and a molecular weight of 380.56 g/mol. Its IUPAC name is 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene
PubChem CID139212118
Molecular FormulaC18H20O3S3
Molecular Weight380.56 g/mol
Exact Mass380.06
IUPAC Name3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene
SMILESCCOc1csc(-c2sc(-c3sccc3OCC)cc2OCC)c1
InChIInChI=1S/C18H20O3S3/c1-4-19-12-9-15(23-11-12)18-14(21-6-3)10-16(24-18)17-13(20-5-2)7-8-22-17/h7-11H,4-6H2,1-3H3
InChIKeyZJIDRDNFPZGHRB-UHFFFAOYSA-N
XLogP6.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]-2-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]-5-[4-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[3-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]thiophene
CID 101048630
3-methoxy-2-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-(4-methoxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-methoxythiophen-2-yl)thiophene
CID 139244781
3-(2-methylpropoxy)-2-[4-(2-methylpropoxy)thiophen-2-yl]thiophene
CID 102044769
3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene
CID 102479833
3-dodecyl-2-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-(4-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-dodecylthiophen-2-yl)thiophene
CID 135005734
(4-ethoxythiophen-2-yl)methanamine
CID 82502718
5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
CID 142472775
3-hexoxy-2-[3-(3-hexoxythiophen-2-yl)azulen-1-yl]thiophene
CID 86064294
ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
CID 142472719
4-(2-methylpropoxy)-2-thiophen-2-ylthiophene
CID 150125475
3-ethylperoxy-2-thiophen-2-ylthiophene
CID 141423205
[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 142472649

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene?
The IUPAC name of 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene (CID 139212118) is 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene.
What is the SMILES notation for 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene?
The canonical SMILES for 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene is CCOc1csc(-c2sc(-c3sccc3OCC)cc2OCC)c1.
What is the InChIKey of 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene?
The InChIKey is ZJIDRDNFPZGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3S3/c1-4-19-12-9-15(23-11-12)18-14(21-6-3)10-16(24-18)17-13(20-5-2)7-8-22-17/h7-11H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene?
3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene has a molecular weight of 380.56 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene is sourced from PubChem (CID 139212118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).