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

C11H17NS3 — CID 165116395

IUPAC3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione
SMILESCCC1C(=S)N(C(C)C)C(=S)C=C1SC
InChIInChI=1S/C11H17NS3/c1-5-8-9(15-4)6-10(13)12(7(2)3)11(8)14/h6-8H,5H2,1-4H3
InChIKeyGAJZRFJHZGAOEA-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.64
Rot. Bonds3

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

3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione (PubChem CID 165116395) has the molecular formula C11H17NS3 and a molecular weight of 259.46 g/mol. Its IUPAC name is 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Name3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione
PubChem CID165116395
Molecular FormulaC11H17NS3
Molecular Weight259.46 g/mol
Exact Mass259.05
IUPAC Name3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione
SMILESCCC1C(=S)N(C(C)C)C(=S)C=C1SC
InChIInChI=1S/C11H17NS3/c1-5-8-9(15-4)6-10(13)12(7(2)3)11(8)14/h6-8H,5H2,1-4H3
InChIKeyGAJZRFJHZGAOEA-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 89313632
5-Tert-butyl-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 142135477
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142212042
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane
CID 142927882
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 143080069
ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080095
5-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 162471297
4-methyl-4-methylsulfanyl-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-6-thione
CID 165116312
3-ethyl-1-propan-2-yl-4-sulfanyl-3H-pyridine-2,6-dithione
CID 165116325

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione?
The IUPAC name of 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione (CID 165116395) is 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione.
What is the SMILES notation for 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione?
The canonical SMILES for 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione is CCC1C(=S)N(C(C)C)C(=S)C=C1SC.
What is the InChIKey of 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione?
The InChIKey is GAJZRFJHZGAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS3/c1-5-8-9(15-4)6-10(13)12(7(2)3)11(8)14/h6-8H,5H2,1-4H3.
What are the key properties of 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione?
3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione has a molecular weight of 259.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 165116395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).