ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione

C11H17NS3 — CID 143080088

IUPACethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
SMILESCC.CN1C(=S)C=C2SCCCC2C1=S
InChIInChI=1S/C9H11NS3.C2H6/c1-10-8(11)5-7-6(9(10)12)3-2-4-13-7;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyZXXWGJLQYPMNNS-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.64
Rot. Bonds

About ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione

ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione (PubChem CID 143080088) has the molecular formula C11H17NS3 and a molecular weight of 259.46 g/mol. Its IUPAC name is ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione.

Molecular Properties

Compound Nameethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
PubChem CID143080088
Molecular FormulaC11H17NS3
Molecular Weight259.46 g/mol
Exact Mass259.05
IUPAC Nameethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
SMILESCC.CN1C(=S)C=C2SCCCC2C1=S
InChIInChI=1S/C9H11NS3.C2H6/c1-10-8(11)5-7-6(9(10)12)3-2-4-13-7;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyZXXWGJLQYPMNNS-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
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'}

Analyze ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione with MolForge

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Launch Full Analysis

Related Compounds

6-Methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 142135452
2,3,4,4a-Tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane
CID 142135634
7-methyl-3,4,5,5a-tetrahydro-2H-thiepino[3,2-c]pyridine-6,8-dithione
CID 142927906
6-Methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione
CID 143079802
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-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080096

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
The IUPAC name of ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione (CID 143080088) is ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione.
What is the SMILES notation for ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
The canonical SMILES for ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione is CC.CN1C(=S)C=C2SCCCC2C1=S.
What is the InChIKey of ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
The InChIKey is ZXXWGJLQYPMNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS3.C2H6/c1-10-8(11)5-7-6(9(10)12)3-2-4-13-7;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione has a molecular weight of 259.46 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione is sourced from PubChem (CID 143080088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).