1-propylpyridine-2-thione

C8H11NS — CID 573929

IUPAC1-propylpyridine-2-thione
SMILESCCCn1ccccc1=S
InChIInChI=1S/C8H11NS/c1-2-6-9-7-4-3-5-8(9)10/h3-5,7H,2,6H2,1H3
InChIKeyGUYLNBGFVBPJTC-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.63
Rot. Bonds2

About 1-propylpyridine-2-thione

1-propylpyridine-2-thione (PubChem CID 573929) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-propylpyridine-2-thione.

Molecular Properties

Compound Name1-propylpyridine-2-thione
PubChem CID573929
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-propylpyridine-2-thione
SMILESCCCn1ccccc1=S
InChIInChI=1S/C8H11NS/c1-2-6-9-7-4-3-5-8(9)10/h3-5,7H,2,6H2,1H3
InChIKeyGUYLNBGFVBPJTC-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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Frequently Asked Questions

What is the IUPAC name of 1-propylpyridine-2-thione?
The IUPAC name of 1-propylpyridine-2-thione (CID 573929) is 1-propylpyridine-2-thione.
What is the SMILES notation for 1-propylpyridine-2-thione?
The canonical SMILES for 1-propylpyridine-2-thione is CCCn1ccccc1=S.
What is the InChIKey of 1-propylpyridine-2-thione?
The InChIKey is GUYLNBGFVBPJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-6-9-7-4-3-5-8(9)10/h3-5,7H,2,6H2,1H3.
What are the key properties of 1-propylpyridine-2-thione?
1-propylpyridine-2-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-2-thione is sourced from PubChem (CID 573929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).