2-(pyridin-2-ylmethoxy)benzenethiol

C12H11NOS — CID 146174195

IUPAC2-(pyridin-2-ylmethoxy)benzenethiol
SMILESSc1ccccc1OCc1ccccn1
InChIInChI=1S/C12H11NOS/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,15H,9H2
InChIKeyUWJOSXKWSNQEPY-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.95
Rot. Bonds3

About 2-(pyridin-2-ylmethoxy)benzenethiol

2-(pyridin-2-ylmethoxy)benzenethiol (PubChem CID 146174195) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethoxy)benzenethiol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethoxy)benzenethiol
PubChem CID146174195
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-(pyridin-2-ylmethoxy)benzenethiol
SMILESSc1ccccc1OCc1ccccn1
InChIInChI=1S/C12H11NOS/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,15H,9H2
InChIKeyUWJOSXKWSNQEPY-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

N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
pyridin-2-ylmethyl hypoiodite
CID 67567753
[2-(pyridin-2-ylmethoxy)phenyl]thiourea
CID 169357255
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
[3-(pyridin-2-ylmethoxy)thiophen-2-yl]methanamine
CID 39202938
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
4-(pyridin-2-ylmethoxy)-1-benzothiophene 1,1-dioxide
CID 22092257
(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 55190234
2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111448684
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethoxy)benzenethiol?
The IUPAC name of 2-(pyridin-2-ylmethoxy)benzenethiol (CID 146174195) is 2-(pyridin-2-ylmethoxy)benzenethiol.
What is the SMILES notation for 2-(pyridin-2-ylmethoxy)benzenethiol?
The canonical SMILES for 2-(pyridin-2-ylmethoxy)benzenethiol is Sc1ccccc1OCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethoxy)benzenethiol?
The InChIKey is UWJOSXKWSNQEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,15H,9H2.
What are the key properties of 2-(pyridin-2-ylmethoxy)benzenethiol?
2-(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 2-(pyridin-2-ylmethoxy)benzenethiol is sourced from PubChem (CID 146174195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).