4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione

C9H13NS3 — CID 142927970

IUPAC4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
SMILESCCSC1=CC(=S)N(C)C(=S)C1C
InChIInChI=1S/C9H13NS3/c1-4-13-7-5-8(11)10(3)9(12)6(7)2/h5-6H,4H2,1-3H3
InChIKeyIKASMCRALOKOHL-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.86
Rot. Bonds2

About 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione

4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione (PubChem CID 142927970) has the molecular formula C9H13NS3 and a molecular weight of 231.41 g/mol. Its IUPAC name is 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Name4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
PubChem CID142927970
Molecular FormulaC9H13NS3
Molecular Weight231.41 g/mol
Exact Mass231.02
IUPAC Name4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
SMILESCCSC1=CC(=S)N(C)C(=S)C1C
InChIInChI=1S/C9H13NS3/c1-4-13-7-5-8(11)10(3)9(12)6(7)2/h5-6H,4H2,1-3H3
InChIKeyIKASMCRALOKOHL-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 22085288
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
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

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione?
The IUPAC name of 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione (CID 142927970) is 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione.
What is the SMILES notation for 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione?
The canonical SMILES for 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione is CCSC1=CC(=S)N(C)C(=S)C1C.
What is the InChIKey of 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione?
The InChIKey is IKASMCRALOKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS3/c1-4-13-7-5-8(11)10(3)9(12)6(7)2/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione?
4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione has a molecular weight of 231.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 142927970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).