6-ethenyl-2H-thiopyran

C7H8S — CID 54431533

IUPAC6-ethenyl-2H-thiopyran
SMILESC=CC1=CC=CCS1
InChIInChI=1S/C7H8S/c1-2-7-5-3-4-6-8-7/h2-5H,1,6H2
InChIKeyWHUVQJZNISPCSB-UHFFFAOYSA-N
MW124.21 g/mol
LogP2.36
Rot. Bonds1

About 6-ethenyl-2H-thiopyran

6-ethenyl-2H-thiopyran (PubChem CID 54431533) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is 6-ethenyl-2H-thiopyran.

Molecular Properties

Compound Name6-ethenyl-2H-thiopyran
PubChem CID54431533
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name6-ethenyl-2H-thiopyran
SMILESC=CC1=CC=CCS1
InChIInChI=1S/C7H8S/c1-2-7-5-3-4-6-8-7/h2-5H,1,6H2
InChIKeyWHUVQJZNISPCSB-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2H-thiopyran?
The IUPAC name of 6-ethenyl-2H-thiopyran (CID 54431533) is 6-ethenyl-2H-thiopyran.
What is the SMILES notation for 6-ethenyl-2H-thiopyran?
The canonical SMILES for 6-ethenyl-2H-thiopyran is C=CC1=CC=CCS1.
What is the InChIKey of 6-ethenyl-2H-thiopyran?
The InChIKey is WHUVQJZNISPCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-2-7-5-3-4-6-8-7/h2-5H,1,6H2.
What are the key properties of 6-ethenyl-2H-thiopyran?
6-ethenyl-2H-thiopyran has a molecular weight of 124.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2H-thiopyran is sourced from PubChem (CID 54431533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).