3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium

C7H6NS3Y- — CID 164595003

IUPAC3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium
SMILESS=C1C=C2SCCC2C(=S)[N-]1.[Y]
InChIInChI=1S/C7H7NS3.Y/c9-6-3-5-4(1-2-11-5)7(10)8-6;/h3-4H,1-2H2,(H,8,9,10);/p-1
InChIKeyLVKAJHIZDGSSDC-UHFFFAOYSA-M
MW289.24 g/mol
LogP2.66
Rot. Bonds

About 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium

3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium (PubChem CID 164595003) has the molecular formula C7H6NS3Y- and a molecular weight of 289.24 g/mol. Its IUPAC name is 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium.

Molecular Properties

Compound Name3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium
PubChem CID164595003
Molecular FormulaC7H6NS3Y-
Molecular Weight289.24 g/mol
Exact Mass288.87
IUPAC Name3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium
SMILESS=C1C=C2SCCC2C(=S)[N-]1.[Y]
InChIInChI=1S/C7H7NS3.Y/c9-6-3-5-4(1-2-11-5)7(10)8-6;/h3-4H,1-2H2,(H,8,9,10);/p-1
InChIKeyLVKAJHIZDGSSDC-UHFFFAOYSA-M
XLogP2.66
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium with MolForge

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Related Compounds

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 22085288
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87430206
5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 129095718
5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135609
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 143080094
5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 155596285
[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite
CID 165116329
5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 165116439

Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium?
The IUPAC name of 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium (CID 164595003) is 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium.
What is the SMILES notation for 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium?
The canonical SMILES for 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium is S=C1C=C2SCCC2C(=S)[N-]1.[Y].
What is the InChIKey of 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium?
The InChIKey is LVKAJHIZDGSSDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NS3.Y/c9-6-3-5-4(1-2-11-5)7(10)8-6;/h3-4H,1-2H2,(H,8,9,10);/p-1.
What are the key properties of 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium?
3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium has a molecular weight of 289.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium is sourced from PubChem (CID 164595003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).