2-pyridin-2-yloxypropane-2-thiol

C8H11NOS — CID 123837409

IUPAC2-pyridin-2-yloxypropane-2-thiol
SMILESCC(C)(S)Oc1ccccn1
InChIInChI=1S/C8H11NOS/c1-8(2,11)10-7-5-3-4-6-9-7/h3-6,11H,1-2H3
InChIKeyUVGDWGDORXFMBI-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.13
Rot. Bonds2

About 2-pyridin-2-yloxypropane-2-thiol

2-pyridin-2-yloxypropane-2-thiol (PubChem CID 123837409) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-pyridin-2-yloxypropane-2-thiol.

Molecular Properties

Compound Name2-pyridin-2-yloxypropane-2-thiol
PubChem CID123837409
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-pyridin-2-yloxypropane-2-thiol
SMILESCC(C)(S)Oc1ccccn1
InChIInChI=1S/C8H11NOS/c1-8(2,11)10-7-5-3-4-6-9-7/h3-6,11H,1-2H3
InChIKeyUVGDWGDORXFMBI-UHFFFAOYSA-N
XLogP2.13
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-pyridin-2-yloxypropan-1-amine
CID 117051394
2-[bromo(difluoro)methoxy]pyridine
CID 66668027
2-methoxypyridine
CID 71774587
2-methoxypyridine;hydrobromide
CID 157413143
2-methyl-1-pyridin-2-yloxypropan-2-amine
CID 51684261
2-methyl-1-pyridin-2-yloxypropan-2-ol
CID 89434781
ethane;methane;2-methoxypyridine
CID 142448470
2-methoxypyridine;methylphosphane
CID 143918814
2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine
CID 70622901
2-(2,2,3-trimethylbutoxy)pyridine
CID 59019418
CID 175111854
CID 175111854
4,4,4-trifluoro-2-methyl-2-pyridin-2-yloxybutanamide
CID 140553367

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxypropane-2-thiol?
The IUPAC name of 2-pyridin-2-yloxypropane-2-thiol (CID 123837409) is 2-pyridin-2-yloxypropane-2-thiol.
What is the SMILES notation for 2-pyridin-2-yloxypropane-2-thiol?
The canonical SMILES for 2-pyridin-2-yloxypropane-2-thiol is CC(C)(S)Oc1ccccn1.
What is the InChIKey of 2-pyridin-2-yloxypropane-2-thiol?
The InChIKey is UVGDWGDORXFMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-8(2,11)10-7-5-3-4-6-9-7/h3-6,11H,1-2H3.
What are the key properties of 2-pyridin-2-yloxypropane-2-thiol?
2-pyridin-2-yloxypropane-2-thiol has a molecular weight of 169.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxypropane-2-thiol is sourced from PubChem (CID 123837409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).