6-ethyl-1H-isothiochromene

C11H12S — CID 142148504

IUPAC6-ethyl-1H-isothiochromene
SMILESCCc1ccc2c(c1)C=CSC2
InChIInChI=1S/C11H12S/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h3-7H,2,8H2,1H3
InChIKeyXYTNLHYIDCHWQT-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.47
Rot. Bonds1

About 6-ethyl-1H-isothiochromene

6-ethyl-1H-isothiochromene (PubChem CID 142148504) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 6-ethyl-1H-isothiochromene.

Molecular Properties

Compound Name6-ethyl-1H-isothiochromene
PubChem CID142148504
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name6-ethyl-1H-isothiochromene
SMILESCCc1ccc2c(c1)C=CSC2
InChIInChI=1S/C11H12S/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h3-7H,2,8H2,1H3
InChIKeyXYTNLHYIDCHWQT-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-isothiochromene?
The IUPAC name of 6-ethyl-1H-isothiochromene (CID 142148504) is 6-ethyl-1H-isothiochromene.
What is the SMILES notation for 6-ethyl-1H-isothiochromene?
The canonical SMILES for 6-ethyl-1H-isothiochromene is CCc1ccc2c(c1)C=CSC2.
What is the InChIKey of 6-ethyl-1H-isothiochromene?
The InChIKey is XYTNLHYIDCHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h3-7H,2,8H2,1H3.
What are the key properties of 6-ethyl-1H-isothiochromene?
6-ethyl-1H-isothiochromene has a molecular weight of 176.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-isothiochromene is sourced from PubChem (CID 142148504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).