1-hex-5-en-2-yloxypyridine-2-thione

C11H15NOS — CID 10656023

IUPAC1-hex-5-en-2-yloxypyridine-2-thione
SMILESC=CCCC(C)On1ccccc1=S
InChIInChI=1S/C11H15NOS/c1-3-4-7-10(2)13-12-9-6-5-8-11(12)14/h3,5-6,8-10H,1,4,7H2,2H3
InChIKeyMIBAOUBGCZNWIB-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.00
Rot. Bonds5

About 1-hex-5-en-2-yloxypyridine-2-thione

1-hex-5-en-2-yloxypyridine-2-thione (PubChem CID 10656023) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-hex-5-en-2-yloxypyridine-2-thione.

Molecular Properties

Compound Name1-hex-5-en-2-yloxypyridine-2-thione
PubChem CID10656023
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-hex-5-en-2-yloxypyridine-2-thione
SMILESC=CCCC(C)On1ccccc1=S
InChIInChI=1S/C11H15NOS/c1-3-4-7-10(2)13-12-9-6-5-8-11(12)14/h3,5-6,8-10H,1,4,7H2,2H3
InChIKeyMIBAOUBGCZNWIB-UHFFFAOYSA-N
XLogP3.00
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.00
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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Related Compounds

1-(2-methylpent-4-enoxy)pyridine-2-thione
CID 10584540
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hex-5-en-2-amine
CID 104578555
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
benzyl 2-methylhex-5-enoate
CID 14713099
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482
N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
CID 97358836
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
(2-sulfanylidene-1-pyridinyl) (3E)-5-methylhexa-3,5-dienoate
CID 102356414
2-hex-5-en-2-ylaniline
CID 101407888
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-en-2-yloxypyridine-2-thione?
The IUPAC name of 1-hex-5-en-2-yloxypyridine-2-thione (CID 10656023) is 1-hex-5-en-2-yloxypyridine-2-thione.
What is the SMILES notation for 1-hex-5-en-2-yloxypyridine-2-thione?
The canonical SMILES for 1-hex-5-en-2-yloxypyridine-2-thione is C=CCCC(C)On1ccccc1=S.
What is the InChIKey of 1-hex-5-en-2-yloxypyridine-2-thione?
The InChIKey is MIBAOUBGCZNWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-4-7-10(2)13-12-9-6-5-8-11(12)14/h3,5-6,8-10H,1,4,7H2,2H3.
What are the key properties of 1-hex-5-en-2-yloxypyridine-2-thione?
1-hex-5-en-2-yloxypyridine-2-thione has a molecular weight of 209.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-en-2-yloxypyridine-2-thione is sourced from PubChem (CID 10656023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).