1-hept-6-en-3-yloxypyridine-2-thione

C12H17NOS — CID 10704323

IUPAC1-hept-6-en-3-yloxypyridine-2-thione
SMILESC=CCCC(CC)On1ccccc1=S
InChIInChI=1S/C12H17NOS/c1-3-5-8-11(4-2)14-13-10-7-6-9-12(13)15/h3,6-7,9-11H,1,4-5,8H2,2H3
InChIKeyBEIVIVCBWVJVMA-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.39
Rot. Bonds6

About 1-hept-6-en-3-yloxypyridine-2-thione

1-hept-6-en-3-yloxypyridine-2-thione (PubChem CID 10704323) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-hept-6-en-3-yloxypyridine-2-thione.

Molecular Properties

Compound Name1-hept-6-en-3-yloxypyridine-2-thione
PubChem CID10704323
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-hept-6-en-3-yloxypyridine-2-thione
SMILESC=CCCC(CC)On1ccccc1=S
InChIInChI=1S/C12H17NOS/c1-3-5-8-11(4-2)14-13-10-7-6-9-12(13)15/h3,6-7,9-11H,1,4-5,8H2,2H3
InChIKeyBEIVIVCBWVJVMA-UHFFFAOYSA-N
XLogP3.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-en-3-yloxypyridine-2-thione?
The IUPAC name of 1-hept-6-en-3-yloxypyridine-2-thione (CID 10704323) is 1-hept-6-en-3-yloxypyridine-2-thione.
What is the SMILES notation for 1-hept-6-en-3-yloxypyridine-2-thione?
The canonical SMILES for 1-hept-6-en-3-yloxypyridine-2-thione is C=CCCC(CC)On1ccccc1=S.
What is the InChIKey of 1-hept-6-en-3-yloxypyridine-2-thione?
The InChIKey is BEIVIVCBWVJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-5-8-11(4-2)14-13-10-7-6-9-12(13)15/h3,6-7,9-11H,1,4-5,8H2,2H3.
What are the key properties of 1-hept-6-en-3-yloxypyridine-2-thione?
1-hept-6-en-3-yloxypyridine-2-thione has a molecular weight of 223.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-en-3-yloxypyridine-2-thione is sourced from PubChem (CID 10704323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).