3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione

C10H15NS3 — CID 165116325

IUPAC3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione
SMILESCCC1C(=S)N(C(C)C)C(=S)C=C1S
InChIInChI=1S/C10H15NS3/c1-4-7-8(12)5-9(13)11(6(2)3)10(7)14/h5-7,12H,4H2,1-3H3
InChIKeyQVKRGSDGLCEIFE-UHFFFAOYSA-N
MW245.44 g/mol
LogP3.21
Rot. Bonds2

About 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione

3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione (PubChem CID 165116325) has the molecular formula C10H15NS3 and a molecular weight of 245.44 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione
PubChem CID165116325
Molecular FormulaC10H15NS3
Molecular Weight245.44 g/mol
Exact Mass245.04
IUPAC Name3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione
SMILESCCC1C(=S)N(C(C)C)C(=S)C=C1S
InChIInChI=1S/C10H15NS3/c1-4-7-8(12)5-9(13)11(6(2)3)10(7)14/h5-7,12H,4H2,1-3H3
InChIKeyQVKRGSDGLCEIFE-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)propane-2-thiol
CID 126624374
3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione
CID 165116395
1-Methyl-2-prop-2-enyl-2,5-dihydropyridine-6-thione
CID 11217457
1-Methyl-2-(2-methylprop-2-enyl)-2,5-dihydropyridine-6-thione
CID 101445624
1-Ethyl-2-methyl-2,3-dihydropyridine-6-thione
CID 102023528

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione?
The IUPAC name of 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione (CID 165116325) is 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione?
The canonical SMILES for 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione is CCC1C(=S)N(C(C)C)C(=S)C=C1S.
What is the InChIKey of 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione?
The InChIKey is QVKRGSDGLCEIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS3/c1-4-7-8(12)5-9(13)11(6(2)3)10(7)14/h5-7,12H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione?
3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione has a molecular weight of 245.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 165116325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).