6-propan-2-ylsulfanyl-2,3-dihydropyridine

C8H13NS — CID 123139916

IUPAC6-propan-2-ylsulfanyl-2,3-dihydropyridine
SMILESCC(C)SC1=NCCC=C1
InChIInChI=1S/C8H13NS/c1-7(2)10-8-5-3-4-6-9-8/h3,5,7H,4,6H2,1-2H3
InChIKeyPPIVTVRDGXTSAX-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.49
Rot. Bonds1

About 6-propan-2-ylsulfanyl-2,3-dihydropyridine

6-propan-2-ylsulfanyl-2,3-dihydropyridine (PubChem CID 123139916) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 6-propan-2-ylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-propan-2-ylsulfanyl-2,3-dihydropyridine
PubChem CID123139916
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name6-propan-2-ylsulfanyl-2,3-dihydropyridine
SMILESCC(C)SC1=NCCC=C1
InChIInChI=1S/C8H13NS/c1-7(2)10-8-5-3-4-6-9-8/h3,5,7H,4,6H2,1-2H3
InChIKeyPPIVTVRDGXTSAX-UHFFFAOYSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 6-propan-2-ylsulfanyl-2,3-dihydropyridine (CID 123139916) is 6-propan-2-ylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 6-propan-2-ylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 6-propan-2-ylsulfanyl-2,3-dihydropyridine is CC(C)SC1=NCCC=C1.
What is the InChIKey of 6-propan-2-ylsulfanyl-2,3-dihydropyridine?
The InChIKey is PPIVTVRDGXTSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(2)10-8-5-3-4-6-9-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 6-propan-2-ylsulfanyl-2,3-dihydropyridine?
6-propan-2-ylsulfanyl-2,3-dihydropyridine has a molecular weight of 155.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 123139916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).