(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol

C12H12N2OS — CID 78951685

IUPAC(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccccc1Sc1cnccn1
InChIInChI=1S/C12H12N2OS/c1-9(15)10-4-2-3-5-11(10)16-12-8-13-6-7-14-12/h2-9,15H,1H3/t9-/m1/s1
InChIKeyIUIVXNOSXCEXPM-SECBINFHSA-N
MW232.31 g/mol
LogP2.68
Rot. Bonds3

About (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol

(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol (PubChem CID 78951685) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
PubChem CID78951685
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccccc1Sc1cnccn1
InChIInChI=1S/C12H12N2OS/c1-9(15)10-4-2-3-5-11(10)16-12-8-13-6-7-14-12/h2-9,15H,1H3/t9-/m1/s1
InChIKeyIUIVXNOSXCEXPM-SECBINFHSA-N
XLogP2.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
CID 78951870
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
2-(2-iodophenyl)sulfanylpyrazine
CID 14689443
(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951642
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
2-pyrazin-2-ylsulfanylbenzonitrile
CID 63380568
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
4-pyrazin-2-ylsulfanylnaphthalen-1-ol
CID 112596159
(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943750
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol (CID 78951685) is (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol is C[C@@H](O)c1ccccc1Sc1cnccn1.
What is the InChIKey of (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol?
The InChIKey is IUIVXNOSXCEXPM-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9(15)10-4-2-3-5-11(10)16-12-8-13-6-7-14-12/h2-9,15H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol?
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol has a molecular weight of 232.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).