5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione

C8H11NS2 — CID 123552809

IUPAC5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione
SMILESCC(C)(S)c1ccc(=S)[nH]c1
InChIInChI=1S/C8H11NS2/c1-8(2,11)6-3-4-7(10)9-5-6/h3-5,11H,1-2H3,(H,9,10)
InChIKeyXHXBGOZZVJRWJW-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.91
Rot. Bonds1

About 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione

5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione (PubChem CID 123552809) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione
PubChem CID123552809
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione
SMILESCC(C)(S)c1ccc(=S)[nH]c1
InChIInChI=1S/C8H11NS2/c1-8(2,11)6-3-4-7(10)9-5-6/h3-5,11H,1-2H3,(H,9,10)
InChIKeyXHXBGOZZVJRWJW-UHFFFAOYSA-N
XLogP2.91
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-Methylpyridine-2(1H)-thione
CID 4297321
Isoquinoline-3(2H)-thione
CID 14382479
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-Allyl-2-pyridinethiol
CID 67377238
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
ethane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 144623975
3-fluoro-5-propan-2-yl-1H-pyridine-2-thione
CID 176933522
4-Ethyl-1H-pyridine-2-thione
CID 15788422
5-Propan-2-yl-1H-pyridine-2-thione
CID 18779006
4-tert-butyl-1H-pyridine-2-thione
CID 18951406
3,4-diethyl-1H-pyridine-2-thione
CID 20083032
5-ethyl-3-methyl-1H-pyridine-2-thione
CID 20083043

Frequently Asked Questions

What is the IUPAC name of 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione?
The IUPAC name of 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione (CID 123552809) is 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione?
The canonical SMILES for 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione is CC(C)(S)c1ccc(=S)[nH]c1.
What is the InChIKey of 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione?
The InChIKey is XHXBGOZZVJRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-8(2,11)6-3-4-7(10)9-5-6/h3-5,11H,1-2H3,(H,9,10).
What are the key properties of 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione?
5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione has a molecular weight of 185.32 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylpropan-2-yl)-1H-pyridine-2-thione is sourced from PubChem (CID 123552809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).