4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine

C8H11NS — CID 130242600

IUPAC4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine
SMILESC=CC1C=CN=CC1SC
InChIInChI=1S/C8H11NS/c1-3-7-4-5-9-6-8(7)10-2/h3-8H,1H2,2H3
InChIKeyRTPCDCWRGZEPPG-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.12
Rot. Bonds2

About 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine

4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine (PubChem CID 130242600) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine
PubChem CID130242600
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine
SMILESC=CC1C=CN=CC1SC
InChIInChI=1S/C8H11NS/c1-3-7-4-5-9-6-8(7)10-2/h3-8H,1H2,2H3
InChIKeyRTPCDCWRGZEPPG-UHFFFAOYSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine?
The IUPAC name of 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine (CID 130242600) is 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine.
What is the SMILES notation for 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine?
The canonical SMILES for 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine is C=CC1C=CN=CC1SC.
What is the InChIKey of 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine?
The InChIKey is RTPCDCWRGZEPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-7-4-5-9-6-8(7)10-2/h3-8H,1H2,2H3.
What are the key properties of 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine?
4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine has a molecular weight of 153.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methylsulfanyl-3,4-dihydropyridine is sourced from PubChem (CID 130242600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).