4-ethylidene-2,6-dimethylthiopyran

C9H12S — CID 54227398

IUPAC4-ethylidene-2,6-dimethylthiopyran
SMILESCC=C1C=C(C)SC(C)=C1
InChIInChI=1S/C9H12S/c1-4-9-5-7(2)10-8(3)6-9/h4-6H,1-3H3
InChIKeyQGVDKRIIBSFZLX-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.49
Rot. Bonds

About 4-ethylidene-2,6-dimethylthiopyran

4-ethylidene-2,6-dimethylthiopyran (PubChem CID 54227398) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 4-ethylidene-2,6-dimethylthiopyran.

Molecular Properties

Compound Name4-ethylidene-2,6-dimethylthiopyran
PubChem CID54227398
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name4-ethylidene-2,6-dimethylthiopyran
SMILESCC=C1C=C(C)SC(C)=C1
InChIInChI=1S/C9H12S/c1-4-9-5-7(2)10-8(3)6-9/h4-6H,1-3H3
InChIKeyQGVDKRIIBSFZLX-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-2,6-dimethylthiopyran?
The IUPAC name of 4-ethylidene-2,6-dimethylthiopyran (CID 54227398) is 4-ethylidene-2,6-dimethylthiopyran.
What is the SMILES notation for 4-ethylidene-2,6-dimethylthiopyran?
The canonical SMILES for 4-ethylidene-2,6-dimethylthiopyran is CC=C1C=C(C)SC(C)=C1.
What is the InChIKey of 4-ethylidene-2,6-dimethylthiopyran?
The InChIKey is QGVDKRIIBSFZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-4-9-5-7(2)10-8(3)6-9/h4-6H,1-3H3.
What are the key properties of 4-ethylidene-2,6-dimethylthiopyran?
4-ethylidene-2,6-dimethylthiopyran has a molecular weight of 152.26 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2,6-dimethylthiopyran is sourced from PubChem (CID 54227398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).