1-pentoxypyridine-2-thione

C10H15NOS — CID 10888868

IUPAC1-pentoxypyridine-2-thione
SMILESCCCCCOn1ccccc1=S
InChIInChI=1S/C10H15NOS/c1-2-3-6-9-12-11-8-5-4-7-10(11)13/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyPGYKPZPAAKOYRO-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.84
Rot. Bonds5

About 1-pentoxypyridine-2-thione

1-pentoxypyridine-2-thione (PubChem CID 10888868) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-pentoxypyridine-2-thione.

Molecular Properties

Compound Name1-pentoxypyridine-2-thione
PubChem CID10888868
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-pentoxypyridine-2-thione
SMILESCCCCCOn1ccccc1=S
InChIInChI=1S/C10H15NOS/c1-2-3-6-9-12-11-8-5-4-7-10(11)13/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyPGYKPZPAAKOYRO-UHFFFAOYSA-N
XLogP2.84
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 1-pentoxypyridine-2-thione?
The IUPAC name of 1-pentoxypyridine-2-thione (CID 10888868) is 1-pentoxypyridine-2-thione.
What is the SMILES notation for 1-pentoxypyridine-2-thione?
The canonical SMILES for 1-pentoxypyridine-2-thione is CCCCCOn1ccccc1=S.
What is the InChIKey of 1-pentoxypyridine-2-thione?
The InChIKey is PGYKPZPAAKOYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-6-9-12-11-8-5-4-7-10(11)13/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 1-pentoxypyridine-2-thione?
1-pentoxypyridine-2-thione has a molecular weight of 197.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypyridine-2-thione is sourced from PubChem (CID 10888868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).