2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol

C14H14ClNOS — CID 66271619

IUPAC2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-10-6-7-16-8-13(10)14(17)9-18-12-4-2-11(15)3-5-12/h2-8,14,17H,9H2,1H3
InChIKeyOHSMOWCKUXECDP-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.87
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol (PubChem CID 66271619) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
PubChem CID66271619
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-10-6-7-16-8-13(10)14(17)9-18-12-4-2-11(15)3-5-12/h2-8,14,17H,9H2,1H3
InChIKeyOHSMOWCKUXECDP-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 104738386
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707834
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylethanol
CID 114644292
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881089
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol (CID 66271619) is 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol is Cc1ccncc1C(O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
The InChIKey is OHSMOWCKUXECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10-6-7-16-8-13(10)14(17)9-18-12-4-2-11(15)3-5-12/h2-8,14,17H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol has a molecular weight of 279.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 66271619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).