1-(2,2-dimethylpropoxy)pyridine-2-thione

C10H15NOS — CID 14400670

IUPAC1-(2,2-dimethylpropoxy)pyridine-2-thione
SMILESCC(C)(C)COn1ccccc1=S
InChIInChI=1S/C10H15NOS/c1-10(2,3)8-12-11-7-5-4-6-9(11)13/h4-7H,8H2,1-3H3
InChIKeyFDSOPVDTAUJZEP-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.69
Rot. Bonds2

About 1-(2,2-dimethylpropoxy)pyridine-2-thione

1-(2,2-dimethylpropoxy)pyridine-2-thione (PubChem CID 14400670) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)pyridine-2-thione.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)pyridine-2-thione
PubChem CID14400670
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(2,2-dimethylpropoxy)pyridine-2-thione
SMILESCC(C)(C)COn1ccccc1=S
InChIInChI=1S/C10H15NOS/c1-10(2,3)8-12-11-7-5-4-6-9(11)13/h4-7H,8H2,1-3H3
InChIKeyFDSOPVDTAUJZEP-UHFFFAOYSA-N
XLogP2.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)pyridine-2-thione?
The IUPAC name of 1-(2,2-dimethylpropoxy)pyridine-2-thione (CID 14400670) is 1-(2,2-dimethylpropoxy)pyridine-2-thione.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)pyridine-2-thione?
The canonical SMILES for 1-(2,2-dimethylpropoxy)pyridine-2-thione is CC(C)(C)COn1ccccc1=S.
What is the InChIKey of 1-(2,2-dimethylpropoxy)pyridine-2-thione?
The InChIKey is FDSOPVDTAUJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)8-12-11-7-5-4-6-9(11)13/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropoxy)pyridine-2-thione?
1-(2,2-dimethylpropoxy)pyridine-2-thione has a molecular weight of 197.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)pyridine-2-thione is sourced from PubChem (CID 14400670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).