2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol

C14H14BrNOS — CID 115374163

IUPAC2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNOS/c1-10-6-11(8-16-7-10)14(17)9-18-13-4-2-12(15)3-5-13/h2-8,14,17H,9H2,1H3
InChIKeyULSSOMZFWYLCBU-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol

2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 115374163) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID115374163
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
SMILESCc1cncc(C(O)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C14H14BrNOS/c1-10-6-11(8-16-7-10)14(17)9-18-13-4-2-12(15)3-5-13/h2-8,14,17H,9H2,1H3
InChIKeyULSSOMZFWYLCBU-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66054291
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881082
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613
2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 66056882
2-(4-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66056672
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
1-(5-methyl-3-pyridinyl)butane-1,4-diol
CID 106677884
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 66056292

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol (CID 115374163) is 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol is Cc1cncc(C(O)CSc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is ULSSOMZFWYLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10-6-11(8-16-7-10)14(17)9-18-13-4-2-12(15)3-5-13/h2-8,14,17H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 324.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 115374163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).