4-ethyl-3,4-dihydro-1H-isothiochromene

C11H14S — CID 71336511

IUPAC4-ethyl-3,4-dihydro-1H-isothiochromene
SMILESCCC1CSCc2ccccc21
InChIInChI=1S/C11H14S/c1-2-9-7-12-8-10-5-3-4-6-11(9)10/h3-6,9H,2,7-8H2,1H3
InChIKeyJIXXPOKNXQPRMV-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.43
Rot. Bonds1

About 4-ethyl-3,4-dihydro-1H-isothiochromene

4-ethyl-3,4-dihydro-1H-isothiochromene (PubChem CID 71336511) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 4-ethyl-3,4-dihydro-1H-isothiochromene.

Molecular Properties

Compound Name4-ethyl-3,4-dihydro-1H-isothiochromene
PubChem CID71336511
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name4-ethyl-3,4-dihydro-1H-isothiochromene
SMILESCCC1CSCc2ccccc21
InChIInChI=1S/C11H14S/c1-2-9-7-12-8-10-5-3-4-6-11(9)10/h3-6,9H,2,7-8H2,1H3
InChIKeyJIXXPOKNXQPRMV-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,3-dihydro-1H-indene
CID 20971
N-(3-ethylpentan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 63842626
N-(2-ethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115718050
N-(4-ethylphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43764362
N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115712822
2,4-diethyl-3,4-dihydro-1H-isoquinoline
CID 56971515
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248
N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43758956
3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356578
1-N-(3,4-dihydro-1H-isothiochromen-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767838
N-(2-butoxyethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61170504
N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115892439

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4-dihydro-1H-isothiochromene?
The IUPAC name of 4-ethyl-3,4-dihydro-1H-isothiochromene (CID 71336511) is 4-ethyl-3,4-dihydro-1H-isothiochromene.
What is the SMILES notation for 4-ethyl-3,4-dihydro-1H-isothiochromene?
The canonical SMILES for 4-ethyl-3,4-dihydro-1H-isothiochromene is CCC1CSCc2ccccc21.
What is the InChIKey of 4-ethyl-3,4-dihydro-1H-isothiochromene?
The InChIKey is JIXXPOKNXQPRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-2-9-7-12-8-10-5-3-4-6-11(9)10/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 4-ethyl-3,4-dihydro-1H-isothiochromene?
4-ethyl-3,4-dihydro-1H-isothiochromene has a molecular weight of 178.30 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4-dihydro-1H-isothiochromene is sourced from PubChem (CID 71336511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).