2-(thian-4-yl)-1-thiophen-2-ylethanol

C11H16OS2 — CID 105079885

IUPAC2-(thian-4-yl)-1-thiophen-2-ylethanol
SMILESOC(CC1CCSCC1)c1cccs1
InChIInChI=1S/C11H16OS2/c12-10(11-2-1-5-14-11)8-9-3-6-13-7-4-9/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyAXZWNEGADLEBGB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.31
Rot. Bonds3

About 2-(thian-4-yl)-1-thiophen-2-ylethanol

2-(thian-4-yl)-1-thiophen-2-ylethanol (PubChem CID 105079885) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(thian-4-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(thian-4-yl)-1-thiophen-2-ylethanol
PubChem CID105079885
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name2-(thian-4-yl)-1-thiophen-2-ylethanol
SMILESOC(CC1CCSCC1)c1cccs1
InChIInChI=1S/C11H16OS2/c12-10(11-2-1-5-14-11)8-9-3-6-13-7-4-9/h1-2,5,9-10,12H,3-4,6-8H2
InChIKeyAXZWNEGADLEBGB-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
CID 105134176
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 113487602
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
3-amino-3-cyclohexyl-1-thiophen-2-ylpropan-1-ol
CID 67876769
2-bromo-1-thiophen-2-ylethanol
CID 22324999

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(thian-4-yl)-1-thiophen-2-ylethanol (CID 105079885) is 2-(thian-4-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(thian-4-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(thian-4-yl)-1-thiophen-2-ylethanol is OC(CC1CCSCC1)c1cccs1.
What is the InChIKey of 2-(thian-4-yl)-1-thiophen-2-ylethanol?
The InChIKey is AXZWNEGADLEBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS2/c12-10(11-2-1-5-14-11)8-9-3-6-13-7-4-9/h1-2,5,9-10,12H,3-4,6-8H2.
What are the key properties of 2-(thian-4-yl)-1-thiophen-2-ylethanol?
2-(thian-4-yl)-1-thiophen-2-ylethanol has a molecular weight of 228.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 105079885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).