1-butoxypyridine-2-thione

C9H13NOS — CID 14400666

IUPAC1-butoxypyridine-2-thione
SMILESCCCCOn1ccccc1=S
InChIInChI=1S/C9H13NOS/c1-2-3-8-11-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3
InChIKeyVHYOIEGOGOPHRG-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.45
Rot. Bonds4

About 1-butoxypyridine-2-thione

1-butoxypyridine-2-thione (PubChem CID 14400666) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-butoxypyridine-2-thione.

Molecular Properties

Compound Name1-butoxypyridine-2-thione
PubChem CID14400666
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-butoxypyridine-2-thione
SMILESCCCCOn1ccccc1=S
InChIInChI=1S/C9H13NOS/c1-2-3-8-11-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3
InChIKeyVHYOIEGOGOPHRG-UHFFFAOYSA-N
XLogP2.45
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-Butoxypyridine-2(1H)-thione
CID 14089614
InChI=1/C6H7NOS/c1-8-7-5-3-2-4-6(7)9/h2-5H,1H
CID 12187774
1-Propan-2-yloxypyridine-2-thione
CID 14400669
1-(3-Methylpent-4-enoxy)pyridine-2-thione
CID 10584541
1-Cyclopentyloxypyridine-2-thione
CID 10976391
1-Propoxypyridine-2(1H)-thione
CID 14400665
1-Ethoxypyridine-2-thione
CID 15326041
1-(2-Methylprop-2-enoxy)pyridine-2-thione
CID 10559314
1-(2-Methylpent-4-enoxy)pyridine-2-thione
CID 10584540
1-Pentoxypyridine-2-thione
CID 10888868
1-(2,2-Dimethylpropoxy)pyridine-2-thione
CID 14400670
Chloro(diethyl)stannanylium;1-oxidopyridine-2-thione
CID 15972061

Frequently Asked Questions

What is the IUPAC name of 1-butoxypyridine-2-thione?
The IUPAC name of 1-butoxypyridine-2-thione (CID 14400666) is 1-butoxypyridine-2-thione.
What is the SMILES notation for 1-butoxypyridine-2-thione?
The canonical SMILES for 1-butoxypyridine-2-thione is CCCCOn1ccccc1=S.
What is the InChIKey of 1-butoxypyridine-2-thione?
The InChIKey is VHYOIEGOGOPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-3-8-11-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-butoxypyridine-2-thione?
1-butoxypyridine-2-thione has a molecular weight of 183.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypyridine-2-thione is sourced from PubChem (CID 14400666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).