1-propylpyridine-4-thione

C8H11NS — CID 14302456

IUPAC1-propylpyridine-4-thione
SMILESCCCn1ccc(=S)cc1
InChIInChI=1S/C8H11NS/c1-2-5-9-6-3-8(10)4-7-9/h3-4,6-7H,2,5H2,1H3
InChIKeyVPNYHVTVRWYWIJ-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.63
Rot. Bonds2

About 1-propylpyridine-4-thione

1-propylpyridine-4-thione (PubChem CID 14302456) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-propylpyridine-4-thione.

Molecular Properties

Compound Name1-propylpyridine-4-thione
PubChem CID14302456
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-propylpyridine-4-thione
SMILESCCCn1ccc(=S)cc1
InChIInChI=1S/C8H11NS/c1-2-5-9-6-3-8(10)4-7-9/h3-4,6-7H,2,5H2,1H3
InChIKeyVPNYHVTVRWYWIJ-UHFFFAOYSA-N
XLogP2.63
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyridine-4(1H)-thione
CID 522324
1-(2-Fluoroethyl)pyridine-4-thione
CID 14125537
4(1H)-Pyridinethione, 1-(2-propenyl)-
CID 11094811
1-Methyl-4(1H)-pyridinethione
CID 139058419
2-Fluoro-1-methylpyridine-4-thione
CID 9812800
3-Fluoro-1-methylpyridine-4-thione
CID 9898855
1-Ethyl-2-fluoropyridine-4-thione
CID 9898893
1-Ethyl-3-fluoropyridine-4-thione
CID 9898894
(E)-4-(dimethylamino)but-3-ene-2-thione
CID 15179161
1-Tert-butylpyridine-4-thione
CID 15398704
(E)-1-(dimethylamino)hex-1-ene-3-thione
CID 21718239
1-propyl-4H-pyridine
CID 12220926

Frequently Asked Questions

What is the IUPAC name of 1-propylpyridine-4-thione?
The IUPAC name of 1-propylpyridine-4-thione (CID 14302456) is 1-propylpyridine-4-thione.
What is the SMILES notation for 1-propylpyridine-4-thione?
The canonical SMILES for 1-propylpyridine-4-thione is CCCn1ccc(=S)cc1.
What is the InChIKey of 1-propylpyridine-4-thione?
The InChIKey is VPNYHVTVRWYWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-5-9-6-3-8(10)4-7-9/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-propylpyridine-4-thione?
1-propylpyridine-4-thione has a molecular weight of 153.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyridine-4-thione is sourced from PubChem (CID 14302456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).