3-ethoxy-3,6-dihydro-2H-thiopyran

C7H12OS — CID 139942024

IUPAC3-ethoxy-3,6-dihydro-2H-thiopyran
SMILESCCOC1C=CCSC1
InChIInChI=1S/C7H12OS/c1-2-8-7-4-3-5-9-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyHBOZZDIUWLQCLT-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.69
Rot. Bonds2

About 3-ethoxy-3,6-dihydro-2H-thiopyran

3-ethoxy-3,6-dihydro-2H-thiopyran (PubChem CID 139942024) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-ethoxy-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name3-ethoxy-3,6-dihydro-2H-thiopyran
PubChem CID139942024
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name3-ethoxy-3,6-dihydro-2H-thiopyran
SMILESCCOC1C=CCSC1
InChIInChI=1S/C7H12OS/c1-2-8-7-4-3-5-9-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyHBOZZDIUWLQCLT-UHFFFAOYSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxycyclohexa-2,5-diene-1-thiol
CID 155923721
5,7a-dihydro-3aH-thieno[3,2-b]pyran
CID 90711172
4-propan-2-yloxy-2-(trifluoromethyl)-4H-thiopyran
CID 102259269
2-Ethenyl-1,4-oxathiane
CID 67652907
6-methylsulfanyl-3,6-dihydro-2H-pyran
CID 91493102
4-Methoxy-2-methylsulfanylpent-2-ene
CID 123603413
(2E,5Z)-3-ethylsulfanyl-1-methoxyhepta-2,5-diene
CID 138723480
4-methylsulfanyl-3,6-dihydro-2H-pyran
CID 149259132
2-(methylsulfanylmethyl)-2H-pyran
CID 169685490
2-(2,5-Dihydrothiophen-2-yl)-2,5-dihydrofuran
CID 170010110
CID 173813169
CID 173813169
2,6-dimethyl-4-prop-2-enylsulfanyl-2H-pyran
CID 411901

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3,6-dihydro-2H-thiopyran?
The IUPAC name of 3-ethoxy-3,6-dihydro-2H-thiopyran (CID 139942024) is 3-ethoxy-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 3-ethoxy-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 3-ethoxy-3,6-dihydro-2H-thiopyran is CCOC1C=CCSC1.
What is the InChIKey of 3-ethoxy-3,6-dihydro-2H-thiopyran?
The InChIKey is HBOZZDIUWLQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-8-7-4-3-5-9-6-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-ethoxy-3,6-dihydro-2H-thiopyran?
3-ethoxy-3,6-dihydro-2H-thiopyran has a molecular weight of 144.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 139942024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).