(2S)-2-methyl-3-thiophen-2-ylpropan-1-ol

C8H12OS — CID 10909820

IUPAC(2S)-2-methyl-3-thiophen-2-ylpropan-1-ol
SMILESC[C@H](CO)Cc1cccs1
InChIInChI=1S/C8H12OS/c1-7(6-9)5-8-3-2-4-10-8/h2-4,7,9H,5-6H2,1H3/t7-/m0/s1
InChIKeyQTTLTIYCZIWHHS-ZETCQYMHSA-N
MW156.25 g/mol
LogP1.92
Rot. Bonds3

About (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol

(2S)-2-methyl-3-thiophen-2-ylpropan-1-ol (PubChem CID 10909820) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-thiophen-2-ylpropan-1-ol
PubChem CID10909820
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name(2S)-2-methyl-3-thiophen-2-ylpropan-1-ol
SMILESC[C@H](CO)Cc1cccs1
InChIInChI=1S/C8H12OS/c1-7(6-9)5-8-3-2-4-10-8/h2-4,7,9H,5-6H2,1H3/t7-/m0/s1
InChIKeyQTTLTIYCZIWHHS-ZETCQYMHSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol 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 (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol (CID 10909820) is (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol is C[C@H](CO)Cc1cccs1.
What is the InChIKey of (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol?
The InChIKey is QTTLTIYCZIWHHS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12OS/c1-7(6-9)5-8-3-2-4-10-8/h2-4,7,9H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol?
(2S)-2-methyl-3-thiophen-2-ylpropan-1-ol has a molecular weight of 156.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 10909820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).