[6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol

C16H12O2S4 — CID 67516152

IUPAC[6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1csc2c(C(O)c3ccsc3)csc12
InChIInChI=1S/C16H12O2S4/c17-13(9-1-3-19-5-9)11-7-21-16-12(8-22-15(11)16)14(18)10-2-4-20-6-10/h1-8,13-14,17-18H
InChIKeyLUBAVLJLKZRSIB-UHFFFAOYSA-N
MW364.54 g/mol
LogP5.25
Rot. Bonds4

About [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol

[6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol (PubChem CID 67516152) has the molecular formula C16H12O2S4 and a molecular weight of 364.54 g/mol. Its IUPAC name is [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol.

Molecular Properties

Compound Name[6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol
PubChem CID67516152
Molecular FormulaC16H12O2S4
Molecular Weight364.54 g/mol
Exact Mass363.97
IUPAC Name[6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1csc2c(C(O)c3ccsc3)csc12
InChIInChI=1S/C16H12O2S4/c17-13(9-1-3-19-5-9)11-7-21-16-12(8-22-15(11)16)14(18)10-2-4-20-6-10/h1-8,13-14,17-18H
InChIKeyLUBAVLJLKZRSIB-UHFFFAOYSA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol?
The IUPAC name of [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol (CID 67516152) is [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol.
What is the SMILES notation for [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol?
The canonical SMILES for [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol is OC(c1ccsc1)c1csc2c(C(O)c3ccsc3)csc12.
What is the InChIKey of [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol?
The InChIKey is LUBAVLJLKZRSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S4/c17-13(9-1-3-19-5-9)11-7-21-16-12(8-22-15(11)16)14(18)10-2-4-20-6-10/h1-8,13-14,17-18H.
What are the key properties of [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol?
[6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol has a molecular weight of 364.54 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[hydroxy(thiophen-3-yl)methyl]thieno[3,2-b]thiophen-3-yl]-thiophen-3-ylmethanol is sourced from PubChem (CID 67516152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).