4-ethyl-2,2-dimethylthiochromene

C13H16S — CID 71101504

IUPAC4-ethyl-2,2-dimethylthiochromene
SMILESCCC1=CC(C)(C)Sc2ccccc21
InChIInChI=1S/C13H16S/c1-4-10-9-13(2,3)14-12-8-6-5-7-11(10)12/h5-9H,4H2,1-3H3
InChIKeySQZIKISFLSKOOQ-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.36
Rot. Bonds1

About 4-ethyl-2,2-dimethylthiochromene

4-ethyl-2,2-dimethylthiochromene (PubChem CID 71101504) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylthiochromene.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylthiochromene
PubChem CID71101504
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name4-ethyl-2,2-dimethylthiochromene
SMILESCCC1=CC(C)(C)Sc2ccccc21
InChIInChI=1S/C13H16S/c1-4-10-9-13(2,3)14-12-8-6-5-7-11(10)12/h5-9H,4H2,1-3H3
InChIKeySQZIKISFLSKOOQ-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethylthiochromene?
The IUPAC name of 4-ethyl-2,2-dimethylthiochromene (CID 71101504) is 4-ethyl-2,2-dimethylthiochromene.
What is the SMILES notation for 4-ethyl-2,2-dimethylthiochromene?
The canonical SMILES for 4-ethyl-2,2-dimethylthiochromene is CCC1=CC(C)(C)Sc2ccccc21.
What is the InChIKey of 4-ethyl-2,2-dimethylthiochromene?
The InChIKey is SQZIKISFLSKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-4-10-9-13(2,3)14-12-8-6-5-7-11(10)12/h5-9H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethylthiochromene?
4-ethyl-2,2-dimethylthiochromene has a molecular weight of 204.34 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylthiochromene is sourced from PubChem (CID 71101504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).