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

C16H12O2S4 — CID 137421932

IUPAC[2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol
SMILESOCc1ccsc1-c1cc2sc(-c3sccc3CO)cc2s1
InChIInChI=1S/C16H12O2S4/c17-7-9-1-3-19-15(9)13-5-11-12(21-13)6-14(22-11)16-10(8-18)2-4-20-16/h1-6,17-18H,7-8H2
InChIKeyJBZDLTXAMPWLBQ-UHFFFAOYSA-N
MW364.54 g/mol
LogP5.40
Rot. Bonds4

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

[2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol (PubChem CID 137421932) has the molecular formula C16H12O2S4 and a molecular weight of 364.54 g/mol. Its IUPAC name is [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol.

Molecular Properties

Compound Name[2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol
PubChem CID137421932
Molecular FormulaC16H12O2S4
Molecular Weight364.54 g/mol
Exact Mass363.97
IUPAC Name[2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol
SMILESOCc1ccsc1-c1cc2sc(-c3sccc3CO)cc2s1
InChIInChI=1S/C16H12O2S4/c17-7-9-1-3-19-15(9)13-5-11-12(21-13)6-14(22-11)16-10(8-18)2-4-20-16/h1-6,17-18H,7-8H2
InChIKeyJBZDLTXAMPWLBQ-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

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol?
The IUPAC name of [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol (CID 137421932) is [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol.
What is the SMILES notation for [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol?
The canonical SMILES for [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol is OCc1ccsc1-c1cc2sc(-c3sccc3CO)cc2s1.
What is the InChIKey of [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol?
The InChIKey is JBZDLTXAMPWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S4/c17-7-9-1-3-19-15(9)13-5-11-12(21-13)6-14(22-11)16-10(8-18)2-4-20-16/h1-6,17-18H,7-8H2.
What are the key properties of [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol?
[2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]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 [2-[5-[3-(hydroxymethyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-3-yl]methanol is sourced from PubChem (CID 137421932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).