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

C9H13NS3 — CID 142927887

IUPAC3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
SMILESCCC1C(=S)N(C)C(=S)C=C1SC
InChIInChI=1S/C9H13NS3/c1-4-6-7(13-3)5-8(11)10(2)9(6)12/h5-6H,4H2,1-3H3
InChIKeyNNLNSIRNLAUQCU-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.86
Rot. Bonds2

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

3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione (PubChem CID 142927887) has the molecular formula C9H13NS3 and a molecular weight of 231.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
PubChem CID142927887
Molecular FormulaC9H13NS3
Molecular Weight231.41 g/mol
Exact Mass231.02
IUPAC Name3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
SMILESCCC1C(=S)N(C)C(=S)C=C1SC
InChIInChI=1S/C9H13NS3/c1-4-6-7(13-3)5-8(11)10(2)9(6)12/h5-6H,4H2,1-3H3
InChIKeyNNLNSIRNLAUQCU-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'}

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Launch Full Analysis

Related Compounds

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
(2E)-N-ethyl-N-methyl-2-(2-sulfanylideneethylidene)thiolane-3-carbothioamide
CID 88873806
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 89313632
6-Methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 142135452
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
7-methyl-3,4,5,5a-tetrahydro-2H-thiepino[3,2-c]pyridine-6,8-dithione
CID 142927906
4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
CID 142927970
ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 143080069

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The IUPAC name of 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione (CID 142927887) is 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione.
What is the SMILES notation for 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The canonical SMILES for 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione is CCC1C(=S)N(C)C(=S)C=C1SC.
What is the InChIKey of 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The InChIKey is NNLNSIRNLAUQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS3/c1-4-6-7(13-3)5-8(11)10(2)9(6)12/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
3-ethyl-1-methyl-4-methylsulfanyl-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 3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 142927887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).