(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol

C12H11BrN2OS — CID 78951642

IUPAC(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(Sc2cnccn2)c(Br)c1
InChIInChI=1S/C12H11BrN2OS/c1-8(16)9-2-3-11(10(13)6-9)17-12-7-14-4-5-15-12/h2-8,16H,1H3/t8-/m1/s1
InChIKeyOIYYSSCQFZIAAV-MRVPVSSYSA-N
MW311.20 g/mol
LogP3.44
Rot. Bonds3

About (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol

(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol (PubChem CID 78951642) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol
PubChem CID78951642
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(Sc2cnccn2)c(Br)c1
InChIInChI=1S/C12H11BrN2OS/c1-8(16)9-2-3-11(10(13)6-9)17-12-7-14-4-5-15-12/h2-8,16H,1H3/t8-/m1/s1
InChIKeyOIYYSSCQFZIAAV-MRVPVSSYSA-N
XLogP3.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 63380539
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
(1S)-1-(3-bromo-4-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 78951799
(1R)-1-(3-bromo-4-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952023
3-bromo-4-pyrazin-2-ylsulfanylbenzoic acid
CID 82802851
(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
CID 106926854
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951685
(1S)-1-[3-bromo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041045
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 55247163
1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63814435
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol (CID 78951642) is (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol is C[C@@H](O)c1ccc(Sc2cnccn2)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol?
The InChIKey is OIYYSSCQFZIAAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8(16)9-2-3-11(10(13)6-9)17-12-7-14-4-5-15-12/h2-8,16H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol?
(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol has a molecular weight of 311.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).