4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine

C8H9NS — CID 91404380

IUPAC4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine
SMILESC1=CC2CN=CC=C2CS1
InChIInChI=1S/C8H9NS/c1-3-9-5-7-2-4-10-6-8(1)7/h1-4,7H,5-6H2
InChIKeyOFXDSAAMYUYJGL-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.87
Rot. Bonds

About 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine

4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine (PubChem CID 91404380) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine.

Molecular Properties

Compound Name4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine
PubChem CID91404380
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine
SMILESC1=CC2CN=CC=C2CS1
InChIInChI=1S/C8H9NS/c1-3-9-5-7-2-4-10-6-8(1)7/h1-4,7H,5-6H2
InChIKeyOFXDSAAMYUYJGL-UHFFFAOYSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5a,9a-Tetrahydro-1,4-benzothiazepine
CID 90877822
3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine
CID 141468709
Ethane;2-ethenylsulfanyl-3-prop-2-enyl-2,3-dihydropyridine
CID 144172000
3,4,4a,5-tetrahydro-1H-thiopyrano[4,3-c]pyridine
CID 175870851
2-Ethenylsulfanyl-3-prop-2-enyl-2,3-dihydropyridine
CID 144172001

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine?
The IUPAC name of 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine (CID 91404380) is 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine.
What is the SMILES notation for 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine?
The canonical SMILES for 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine is C1=CC2CN=CC=C2CS1.
What is the InChIKey of 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine?
The InChIKey is OFXDSAAMYUYJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-9-5-7-2-4-10-6-8(1)7/h1-4,7H,5-6H2.
What are the key properties of 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine?
4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine has a molecular weight of 151.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine is sourced from PubChem (CID 91404380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).