2-(6-benzylsulfanyl-3-pyridinyl)ethanol

C14H15NOS — CID 102546728

IUPAC2-(6-benzylsulfanyl-3-pyridinyl)ethanol
SMILESOCCc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C14H15NOS/c16-9-8-12-6-7-14(15-10-12)17-11-13-4-2-1-3-5-13/h1-7,10,16H,8-9,11H2
InChIKeyYDEBDMUGCIBPCI-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.91
Rot. Bonds5

About 2-(6-benzylsulfanyl-3-pyridinyl)ethanol

2-(6-benzylsulfanyl-3-pyridinyl)ethanol (PubChem CID 102546728) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(6-benzylsulfanyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(6-benzylsulfanyl-3-pyridinyl)ethanol
PubChem CID102546728
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(6-benzylsulfanyl-3-pyridinyl)ethanol
SMILESOCCc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C14H15NOS/c16-9-8-12-6-7-14(15-10-12)17-11-13-4-2-1-3-5-13/h1-7,10,16H,8-9,11H2
InChIKeyYDEBDMUGCIBPCI-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
CID 102546908
(6-benzylsulfanyl-3-pyridinyl)-phenylmethanone
CID 102546721
2-(6-benzylsulfanyl-3-pyridinyl)prop-2-enenitrile
CID 142548359
2-benzylsulfanyl-5-bromopyridine;5-bromo-2-chloropyridine
CID 160822537
(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
CID 124502892
2-(6-bromo-3-pyridinyl)ethanol
CID 22473220
N-(6-benzylsulfanyl-3-pyridinyl)-N-hydroxymethanimidamide
CID 174378209
2-[6-[benzyl(methyl)amino]-3-pyridinyl]ethanol
CID 102546707
2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
CID 59192525
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzylsulfanyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(6-benzylsulfanyl-3-pyridinyl)ethanol (CID 102546728) is 2-(6-benzylsulfanyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(6-benzylsulfanyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(6-benzylsulfanyl-3-pyridinyl)ethanol is OCCc1ccc(SCc2ccccc2)nc1.
What is the InChIKey of 2-(6-benzylsulfanyl-3-pyridinyl)ethanol?
The InChIKey is YDEBDMUGCIBPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-9-8-12-6-7-14(15-10-12)17-11-13-4-2-1-3-5-13/h1-7,10,16H,8-9,11H2.
What are the key properties of 2-(6-benzylsulfanyl-3-pyridinyl)ethanol?
2-(6-benzylsulfanyl-3-pyridinyl)ethanol has a molecular weight of 245.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzylsulfanyl-3-pyridinyl)ethanol is sourced from PubChem (CID 102546728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).