4-(disulfanyl)-2,3-dihydropyridine

C5H7NS2 — CID 163875263

IUPAC4-(disulfanyl)-2,3-dihydropyridine
SMILESSSC1=CC=NCC1
InChIInChI=1S/C5H7NS2/c7-8-5-1-3-6-4-2-5/h1,3,7H,2,4H2
InChIKeyPOHRTFYYCFIOPS-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.92
Rot. Bonds1

About 4-(disulfanyl)-2,3-dihydropyridine

4-(disulfanyl)-2,3-dihydropyridine (PubChem CID 163875263) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-(disulfanyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(disulfanyl)-2,3-dihydropyridine
PubChem CID163875263
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name4-(disulfanyl)-2,3-dihydropyridine
SMILESSSC1=CC=NCC1
InChIInChI=1S/C5H7NS2/c7-8-5-1-3-6-4-2-5/h1,3,7H,2,4H2
InChIKeyPOHRTFYYCFIOPS-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydropyridine
CID 13347754
Pyridine-3(2H)-thione
CID 13507521
Pyridine-2(3H)-thione
CID 14762675
Dithionopyridine
CID 20232710
2-Mercapto(thioxo)pyridine
CID 146171588
3-fluoro-3H-pyridine-2-thione
CID 74019610
2-(Propyldisulfanyl)-2,3-dihydropyridine
CID 60024987
2-sulfinyl-3H-pyridine
CID 88135452
2,3-Dihydropyridine-5-thiol
CID 88967075
3-methyl-2H-pyridine-3-thiol
CID 89106565
2-(Methyldisulfanyl)-2,3-dihydropyridine
CID 89248582
2,3-Dihydropyridine-2-thiol
CID 91440046

Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)-2,3-dihydropyridine?
The IUPAC name of 4-(disulfanyl)-2,3-dihydropyridine (CID 163875263) is 4-(disulfanyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-(disulfanyl)-2,3-dihydropyridine?
The canonical SMILES for 4-(disulfanyl)-2,3-dihydropyridine is SSC1=CC=NCC1.
What is the InChIKey of 4-(disulfanyl)-2,3-dihydropyridine?
The InChIKey is POHRTFYYCFIOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c7-8-5-1-3-6-4-2-5/h1,3,7H,2,4H2.
What are the key properties of 4-(disulfanyl)-2,3-dihydropyridine?
4-(disulfanyl)-2,3-dihydropyridine has a molecular weight of 145.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)-2,3-dihydropyridine is sourced from PubChem (CID 163875263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).