1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane

C10H17NS3 — CID 142927882

IUPAC1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane
SMILESCC.CSC1=CC(=S)N(C)C(=S)C1C
InChIInChI=1S/C8H11NS3.C2H6/c1-5-6(12-3)4-7(10)9(2)8(5)11;1-2/h4-5H,1-3H3;1-2H3
InChIKeyJINVKSKJUQNPNB-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.50
Rot. Bonds1

About 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane

1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane (PubChem CID 142927882) has the molecular formula C10H17NS3 and a molecular weight of 247.45 g/mol. Its IUPAC name is 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane.

Molecular Properties

Compound Name1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane
PubChem CID142927882
Molecular FormulaC10H17NS3
Molecular Weight247.45 g/mol
Exact Mass247.05
IUPAC Name1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane
SMILESCC.CSC1=CC(=S)N(C)C(=S)C1C
InChIInChI=1S/C8H11NS3.C2H6/c1-5-6(12-3)4-7(10)9(2)8(5)11;1-2/h4-5H,1-3H3;1-2H3
InChIKeyJINVKSKJUQNPNB-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.50
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

tert-butyl 3,6-dihydro-2H-pyridine-1-carbodithioate
CID 59525195
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142212042
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
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
ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080095
3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione
CID 165116395
3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 130678699
3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080096

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane?
The IUPAC name of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane (CID 142927882) is 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane.
What is the SMILES notation for 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane?
The canonical SMILES for 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane is CC.CSC1=CC(=S)N(C)C(=S)C1C.
What is the InChIKey of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane?
The InChIKey is JINVKSKJUQNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS3.C2H6/c1-5-6(12-3)4-7(10)9(2)8(5)11;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane?
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane has a molecular weight of 247.45 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane is sourced from PubChem (CID 142927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).