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

C9H11NS3 — CID 142135452

IUPAC6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
SMILESCN1C(=S)C=C2SCCCC2C1=S
InChIInChI=1S/C9H11NS3/c1-10-8(11)5-7-6(9(10)12)3-2-4-13-7/h5-6H,2-4H2,1H3
InChIKeyBZVRDXXAURFHGT-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.61
Rot. Bonds

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

6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione (PubChem CID 142135452) has the molecular formula C9H11NS3 and a molecular weight of 229.39 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione.

Molecular Properties

Compound Name6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
PubChem CID142135452
Molecular FormulaC9H11NS3
Molecular Weight229.39 g/mol
Exact Mass229.01
IUPAC Name6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
SMILESCN1C(=S)C=C2SCCCC2C1=S
InChIInChI=1S/C9H11NS3/c1-10-8(11)5-7-6(9(10)12)3-2-4-13-7/h5-6H,2-4H2,1H3
InChIKeyBZVRDXXAURFHGT-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.61
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

2,3,4,4a-Tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione;ethane
CID 142135634
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
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;6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 143080088
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 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
The IUPAC name of 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione (CID 142135452) is 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione.
What is the SMILES notation for 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
The canonical SMILES for 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione is CN1C(=S)C=C2SCCCC2C1=S.
What is the InChIKey of 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
The InChIKey is BZVRDXXAURFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS3/c1-10-8(11)5-7-6(9(10)12)3-2-4-13-7/h5-6H,2-4H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione?
6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione has a molecular weight of 229.39 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione is sourced from PubChem (CID 142135452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).