(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol

C8H10O2S — CID 101201704

IUPAC(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol
SMILESO[C@@H](Cc1cccs1)[C@@H]1CO1
InChIInChI=1S/C8H10O2S/c9-7(8-5-10-8)4-6-2-1-3-11-6/h1-3,7-9H,4-5H2/t7-,8-/m0/s1
InChIKeyGALWMMFJMMBPNW-YUMQZZPRSA-N
MW170.23 g/mol
LogP1.05
Rot. Bonds3

About (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol

(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol (PubChem CID 101201704) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol
PubChem CID101201704
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol
SMILESO[C@@H](Cc1cccs1)[C@@H]1CO1
InChIInChI=1S/C8H10O2S/c9-7(8-5-10-8)4-6-2-1-3-11-6/h1-3,7-9H,4-5H2/t7-,8-/m0/s1
InChIKeyGALWMMFJMMBPNW-YUMQZZPRSA-N
XLogP1.05
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2-adamantyl)-2-thiophen-2-ylethanol
CID 81095479
1-[(3R)-pyrrolidin-3-yl]-2-thiophen-2-ylethanol
CID 164654563
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 65159331
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol?
The IUPAC name of (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol (CID 101201704) is (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol?
The canonical SMILES for (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol is O[C@@H](Cc1cccs1)[C@@H]1CO1.
What is the InChIKey of (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol?
The InChIKey is GALWMMFJMMBPNW-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10O2S/c9-7(8-5-10-8)4-6-2-1-3-11-6/h1-3,7-9H,4-5H2/t7-,8-/m0/s1.
What are the key properties of (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol?
(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol has a molecular weight of 170.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol is sourced from PubChem (CID 101201704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).