6-(2-methylpropoxy)pyridine-3-thiol

C9H13NOS — CID 139458928

IUPAC6-(2-methylpropoxy)pyridine-3-thiol
SMILESCC(C)COc1ccc(S)cn1
InChIInChI=1S/C9H13NOS/c1-7(2)6-11-9-4-3-8(12)5-10-9/h3-5,7,12H,6H2,1-2H3
InChIKeyDGQJQBJFESPXEB-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.41
Rot. Bonds3

About 6-(2-methylpropoxy)pyridine-3-thiol

6-(2-methylpropoxy)pyridine-3-thiol (PubChem CID 139458928) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-(2-methylpropoxy)pyridine-3-thiol.

Molecular Properties

Compound Name6-(2-methylpropoxy)pyridine-3-thiol
PubChem CID139458928
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name6-(2-methylpropoxy)pyridine-3-thiol
SMILESCC(C)COc1ccc(S)cn1
InChIInChI=1S/C9H13NOS/c1-7(2)6-11-9-4-3-8(12)5-10-9/h3-5,7,12H,6H2,1-2H3
InChIKeyDGQJQBJFESPXEB-UHFFFAOYSA-N
XLogP2.41
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.41
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

6-(2-methylpropoxy)pyridin-3-amine
CID 3031383
6-(2-methylpropoxy)pyridin-3-amine;hydrochloride
CID 67054031
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 121187079
[6-(2-methylpropoxy)pyridazin-3-yl]methanamine
CID 62292495
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127
1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol
CID 170389360
4-[2,4-dimethyl-4-[6-(2-methylpropoxy)-3-pyridinyl]pentoxy]-2-methylpyridine
CID 130223617
6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide
CID 142430003
1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol
CID 170402698

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)pyridine-3-thiol?
The IUPAC name of 6-(2-methylpropoxy)pyridine-3-thiol (CID 139458928) is 6-(2-methylpropoxy)pyridine-3-thiol.
What is the SMILES notation for 6-(2-methylpropoxy)pyridine-3-thiol?
The canonical SMILES for 6-(2-methylpropoxy)pyridine-3-thiol is CC(C)COc1ccc(S)cn1.
What is the InChIKey of 6-(2-methylpropoxy)pyridine-3-thiol?
The InChIKey is DGQJQBJFESPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(2)6-11-9-4-3-8(12)5-10-9/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 6-(2-methylpropoxy)pyridine-3-thiol?
6-(2-methylpropoxy)pyridine-3-thiol has a molecular weight of 183.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)pyridine-3-thiol is sourced from PubChem (CID 139458928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).