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

C16H12O2S4 — CID 137421923

IUPAC[6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol
SMILESOCc1c(-c2cccs2)sc2c(CO)c(-c3cccs3)sc12
InChIInChI=1S/C16H12O2S4/c17-7-9-13(11-3-1-5-19-11)21-16-10(8-18)14(22-15(9)16)12-4-2-6-20-12/h1-6,17-18H,7-8H2
InChIKeyDSDZAWOUISLOCX-UHFFFAOYSA-N
MW364.54 g/mol
LogP5.40
Rot. Bonds4

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

[6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol (PubChem CID 137421923) has the molecular formula C16H12O2S4 and a molecular weight of 364.54 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol
PubChem CID137421923
Molecular FormulaC16H12O2S4
Molecular Weight364.54 g/mol
Exact Mass363.97
IUPAC Name[6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol
SMILESOCc1c(-c2cccs2)sc2c(CO)c(-c3cccs3)sc12
InChIInChI=1S/C16H12O2S4/c17-7-9-13(11-3-1-5-19-11)21-16-10(8-18)14(22-15(9)16)12-4-2-6-20-12/h1-6,17-18H,7-8H2
InChIKeyDSDZAWOUISLOCX-UHFFFAOYSA-N
XLogP5.40
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 ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol (CID 137421923) is [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol is OCc1c(-c2cccs2)sc2c(CO)c(-c3cccs3)sc12.
What is the InChIKey of [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol?
The InChIKey is DSDZAWOUISLOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S4/c17-7-9-13(11-3-1-5-19-11)21-16-10(8-18)14(22-15(9)16)12-4-2-6-20-12/h1-6,17-18H,7-8H2.
What are the key properties of [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol?
[6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol has a molecular weight of 364.54 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,5-dithiophen-2-ylthieno[3,2-b]thiophen-3-yl]methanol is sourced from PubChem (CID 137421923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).