3-(pyridin-2-ylmethoxy)benzenethiol

C12H11NOS — CID 143173628

IUPAC3-(pyridin-2-ylmethoxy)benzenethiol
SMILESSc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C12H11NOS/c15-12-6-3-5-11(8-12)14-9-10-4-1-2-7-13-10/h1-8,15H,9H2
InChIKeySTKLVIXOSXNFGR-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.95
Rot. Bonds3

About 3-(pyridin-2-ylmethoxy)benzenethiol

3-(pyridin-2-ylmethoxy)benzenethiol (PubChem CID 143173628) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethoxy)benzenethiol.

Molecular Properties

Compound Name3-(pyridin-2-ylmethoxy)benzenethiol
PubChem CID143173628
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name3-(pyridin-2-ylmethoxy)benzenethiol
SMILESSc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C12H11NOS/c15-12-6-3-5-11(8-12)14-9-10-4-1-2-7-13-10/h1-8,15H,9H2
InChIKeySTKLVIXOSXNFGR-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
CID 75509167
2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
CID 66707738
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethoxy)benzenethiol?
The IUPAC name of 3-(pyridin-2-ylmethoxy)benzenethiol (CID 143173628) is 3-(pyridin-2-ylmethoxy)benzenethiol.
What is the SMILES notation for 3-(pyridin-2-ylmethoxy)benzenethiol?
The canonical SMILES for 3-(pyridin-2-ylmethoxy)benzenethiol is Sc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 3-(pyridin-2-ylmethoxy)benzenethiol?
The InChIKey is STKLVIXOSXNFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c15-12-6-3-5-11(8-12)14-9-10-4-1-2-7-13-10/h1-8,15H,9H2.
What are the key properties of 3-(pyridin-2-ylmethoxy)benzenethiol?
3-(pyridin-2-ylmethoxy)benzenethiol has a molecular weight of 217.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethoxy)benzenethiol is sourced from PubChem (CID 143173628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).