5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran

C8H12OS — CID 20673454

IUPAC5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran
SMILESC=C(OC)C1=CCCSC1
InChIInChI=1S/C8H12OS/c1-7(9-2)8-4-3-5-10-6-8/h4H,1,3,5-6H2,2H3
InChIKeyLNFBCHUGXRUPJC-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.21
Rot. Bonds2

About 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran

5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran (PubChem CID 20673454) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran
PubChem CID20673454
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran
SMILESC=C(OC)C1=CCCSC1
InChIInChI=1S/C8H12OS/c1-7(9-2)8-4-3-5-10-6-8/h4H,1,3,5-6H2,2H3
InChIKeyLNFBCHUGXRUPJC-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran?
The IUPAC name of 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran (CID 20673454) is 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran is C=C(OC)C1=CCCSC1.
What is the InChIKey of 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran?
The InChIKey is LNFBCHUGXRUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7(9-2)8-4-3-5-10-6-8/h4H,1,3,5-6H2,2H3.
What are the key properties of 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran?
5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran has a molecular weight of 156.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethenyl)-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 20673454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).