(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol

C12H12OS2 — CID 63814412

IUPAC(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1ccccc1Sc1cccs1
InChIInChI=1S/C12H12OS2/c1-9(13)10-5-2-3-6-11(10)15-12-7-4-8-14-12/h2-9,13H,1H3/t9-/m0/s1
InChIKeyUQTBIDHPRSEPPN-VIFPVBQESA-N
MW236.36 g/mol
LogP3.95
Rot. Bonds3

About (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol

(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol (PubChem CID 63814412) has the molecular formula C12H12OS2 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol
PubChem CID63814412
Molecular FormulaC12H12OS2
Molecular Weight236.36 g/mol
Exact Mass236.03
IUPAC Name(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1ccccc1Sc1cccs1
InChIInChI=1S/C12H12OS2/c1-9(13)10-5-2-3-6-11(10)15-12-7-4-8-14-12/h2-9,13H,1H3/t9-/m0/s1
InChIKeyUQTBIDHPRSEPPN-VIFPVBQESA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol (CID 63814412) is (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol is C[C@H](O)c1ccccc1Sc1cccs1.
What is the InChIKey of (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol?
The InChIKey is UQTBIDHPRSEPPN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12OS2/c1-9(13)10-5-2-3-6-11(10)15-12-7-4-8-14-12/h2-9,13H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol?
(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol has a molecular weight of 236.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 63814412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).