4,7-dihydro-3H-dithiolo[3,4-b]pyridine

C6H7NS2 — CID 169224140

IUPAC4,7-dihydro-3H-dithiolo[3,4-b]pyridine
SMILESC1=CNC2=C(C1)CSS2
InChIInChI=1S/C6H7NS2/c1-2-5-4-8-9-6(5)7-3-1/h1,3,7H,2,4H2
InChIKeyMFASCUXRIJAZSL-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.10
Rot. Bonds

About 4,7-dihydro-3H-dithiolo[3,4-b]pyridine

4,7-dihydro-3H-dithiolo[3,4-b]pyridine (PubChem CID 169224140) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is 4,7-dihydro-3H-dithiolo[3,4-b]pyridine.

Molecular Properties

Compound Name4,7-dihydro-3H-dithiolo[3,4-b]pyridine
PubChem CID169224140
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Name4,7-dihydro-3H-dithiolo[3,4-b]pyridine
SMILESC1=CNC2=C(C1)CSS2
InChIInChI=1S/C6H7NS2/c1-2-5-4-8-9-6(5)7-3-1/h1,3,7H,2,4H2
InChIKeyMFASCUXRIJAZSL-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,7-dihydro-3H-dithiolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7a-Dihydrothieno[3,2-c]pyridine
CID 91319826
5H-thieno[3,2-c]pyridine 1-oxide
CID 123746872
6H-dithiolo[3,4-c]pyridine
CID 142421417
1,4-Dihydropyridine-3-carbothialdehyde
CID 166719225

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-3H-dithiolo[3,4-b]pyridine?
The IUPAC name of 4,7-dihydro-3H-dithiolo[3,4-b]pyridine (CID 169224140) is 4,7-dihydro-3H-dithiolo[3,4-b]pyridine.
What is the SMILES notation for 4,7-dihydro-3H-dithiolo[3,4-b]pyridine?
The canonical SMILES for 4,7-dihydro-3H-dithiolo[3,4-b]pyridine is C1=CNC2=C(C1)CSS2.
What is the InChIKey of 4,7-dihydro-3H-dithiolo[3,4-b]pyridine?
The InChIKey is MFASCUXRIJAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS2/c1-2-5-4-8-9-6(5)7-3-1/h1,3,7H,2,4H2.
What are the key properties of 4,7-dihydro-3H-dithiolo[3,4-b]pyridine?
4,7-dihydro-3H-dithiolo[3,4-b]pyridine has a molecular weight of 157.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-3H-dithiolo[3,4-b]pyridine is sourced from PubChem (CID 169224140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).