4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene

C13H18S — CID 23450674

IUPAC4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCCC1CCSc2c(C)ccc(C)c21
InChIInChI=1S/C13H18S/c1-4-11-7-8-14-13-10(3)6-5-9(2)12(11)13/h5-6,11H,4,7-8H2,1-3H3
InChIKeyYYXZTCHUFAROJI-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.29
Rot. Bonds1

About 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene

4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene (PubChem CID 23450674) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene
PubChem CID23450674
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCCC1CCSc2c(C)ccc(C)c21
InChIInChI=1S/C13H18S/c1-4-11-7-8-14-13-10(3)6-5-9(2)12(11)13/h5-6,11H,4,7-8H2,1-3H3
InChIKeyYYXZTCHUFAROJI-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene (CID 23450674) is 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene is CCC1CCSc2c(C)ccc(C)c21.
What is the InChIKey of 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
The InChIKey is YYXZTCHUFAROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-4-11-7-8-14-13-10(3)6-5-9(2)12(11)13/h5-6,11H,4,7-8H2,1-3H3.
What are the key properties of 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene has a molecular weight of 206.35 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,8-dimethyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 23450674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).