6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione

C8H11NS2 — CID 156717468

IUPAC6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione
SMILESCC(C)c1cc(S)cc(=S)[nH]1
InChIInChI=1S/C8H11NS2/c1-5(2)7-3-6(10)4-8(11)9-7/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyXGZPYYGXDFWGQR-UHFFFAOYSA-N
MW185.32 g/mol
LogP3.16
Rot. Bonds1

About 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione

6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione (PubChem CID 156717468) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione
PubChem CID156717468
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione
SMILESCC(C)c1cc(S)cc(=S)[nH]1
InChIInChI=1S/C8H11NS2/c1-5(2)7-3-6(10)4-8(11)9-7/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyXGZPYYGXDFWGQR-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione?
The IUPAC name of 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione (CID 156717468) is 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione.
What is the SMILES notation for 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione?
The canonical SMILES for 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione is CC(C)c1cc(S)cc(=S)[nH]1.
What is the InChIKey of 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione?
The InChIKey is XGZPYYGXDFWGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-5(2)7-3-6(10)4-8(11)9-7/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione?
6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione has a molecular weight of 185.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione is sourced from PubChem (CID 156717468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).