6H-dithiolo[3,4-c]pyridine

C6H5NS2 — CID 142421417

IUPAC6H-dithiolo[3,4-c]pyridine
SMILESC1=CC2=CSSC2=CN1
InChIInChI=1S/C6H5NS2/c1-2-7-3-6-5(1)4-8-9-6/h1-4,7H
InChIKeyVXFRYSWPVYYOAA-UHFFFAOYSA-N
MW155.25 g/mol
LogP2.22
Rot. Bonds

About 6H-dithiolo[3,4-c]pyridine

6H-dithiolo[3,4-c]pyridine (PubChem CID 142421417) has the molecular formula C6H5NS2 and a molecular weight of 155.25 g/mol. Its IUPAC name is 6H-dithiolo[3,4-c]pyridine.

Molecular Properties

Compound Name6H-dithiolo[3,4-c]pyridine
PubChem CID142421417
Molecular FormulaC6H5NS2
Molecular Weight155.25 g/mol
Exact Mass154.99
IUPAC Name6H-dithiolo[3,4-c]pyridine
SMILESC1=CC2=CSSC2=CN1
InChIInChI=1S/C6H5NS2/c1-2-7-3-6-5(1)4-8-9-6/h1-4,7H
InChIKeyVXFRYSWPVYYOAA-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7a-Dihydrothieno[3,2-c]pyridine
CID 91319826
5H-thieno[3,2-c]pyridine 1-oxide
CID 123746872
2,6-Dihydrothieno[2,3-c]pyridine
CID 150892864
1,4-Dihydropyridine-3-carbothialdehyde
CID 166719225
4,7-dihydro-3H-dithiolo[3,4-b]pyridine
CID 169224140

Frequently Asked Questions

What is the IUPAC name of 6H-dithiolo[3,4-c]pyridine?
The IUPAC name of 6H-dithiolo[3,4-c]pyridine (CID 142421417) is 6H-dithiolo[3,4-c]pyridine.
What is the SMILES notation for 6H-dithiolo[3,4-c]pyridine?
The canonical SMILES for 6H-dithiolo[3,4-c]pyridine is C1=CC2=CSSC2=CN1.
What is the InChIKey of 6H-dithiolo[3,4-c]pyridine?
The InChIKey is VXFRYSWPVYYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS2/c1-2-7-3-6-5(1)4-8-9-6/h1-4,7H.
What are the key properties of 6H-dithiolo[3,4-c]pyridine?
6H-dithiolo[3,4-c]pyridine has a molecular weight of 155.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-dithiolo[3,4-c]pyridine is sourced from PubChem (CID 142421417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).