[5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol

C20H12O2S6 — CID 137421930

IUPAC[5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol
SMILESOCc1c(-c2cc3sc(-c4sc5ccsc5c4CO)cc3s2)sc2ccsc12
InChIInChI=1S/C20H12O2S6/c21-7-9-17-11(1-3-23-17)27-19(9)15-5-13-14(25-15)6-16(26-13)20-10(8-22)18-12(28-20)2-4-24-18/h1-6,21-22H,7-8H2
InChIKeyOKIUOZOAEJZORB-UHFFFAOYSA-N
MW476.72 g/mol
LogP7.83
Rot. Bonds4

About [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol

[5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol (PubChem CID 137421930) has the molecular formula C20H12O2S6 and a molecular weight of 476.72 g/mol. Its IUPAC name is [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol.

Molecular Properties

Compound Name[5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol
PubChem CID137421930
Molecular FormulaC20H12O2S6
Molecular Weight476.72 g/mol
Exact Mass475.92
IUPAC Name[5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol
SMILESOCc1c(-c2cc3sc(-c4sc5ccsc5c4CO)cc3s2)sc2ccsc12
InChIInChI=1S/C20H12O2S6/c21-7-9-17-11(1-3-23-17)27-19(9)15-5-13-14(25-15)6-16(26-13)20-10(8-22)18-12(28-20)2-4-24-18/h1-6,21-22H,7-8H2
InChIKeyOKIUOZOAEJZORB-UHFFFAOYSA-N
XLogP7.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.72
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol?
The IUPAC name of [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol (CID 137421930) is [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol.
What is the SMILES notation for [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol?
The canonical SMILES for [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol is OCc1c(-c2cc3sc(-c4sc5ccsc5c4CO)cc3s2)sc2ccsc12.
What is the InChIKey of [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol?
The InChIKey is OKIUOZOAEJZORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2S6/c21-7-9-17-11(1-3-23-17)27-19(9)15-5-13-14(25-15)6-16(26-13)20-10(8-22)18-12(28-20)2-4-24-18/h1-6,21-22H,7-8H2.
What are the key properties of [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol?
[5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol has a molecular weight of 476.72 g/mol, XLogP of 7.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[6-(hydroxymethyl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methanol is sourced from PubChem (CID 137421930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).