4,4-dimethyl-2,3-dihydrothiochromene

C11H14S — CID 11019430

IUPAC4,4-dimethyl-2,3-dihydrothiochromene
SMILESCC1(C)CCSc2ccccc21
InChIInChI=1S/C11H14S/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyUKTQYFIDMREWNQ-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.46
Rot. Bonds

About 4,4-dimethyl-2,3-dihydrothiochromene

4,4-dimethyl-2,3-dihydrothiochromene (PubChem CID 11019430) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dihydrothiochromene
PubChem CID11019430
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name4,4-dimethyl-2,3-dihydrothiochromene
SMILESCC1(C)CCSc2ccccc21
InChIInChI=1S/C11H14S/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyUKTQYFIDMREWNQ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dihydrothiochromene?
The IUPAC name of 4,4-dimethyl-2,3-dihydrothiochromene (CID 11019430) is 4,4-dimethyl-2,3-dihydrothiochromene.
What is the SMILES notation for 4,4-dimethyl-2,3-dihydrothiochromene?
The canonical SMILES for 4,4-dimethyl-2,3-dihydrothiochromene is CC1(C)CCSc2ccccc21.
What is the InChIKey of 4,4-dimethyl-2,3-dihydrothiochromene?
The InChIKey is UKTQYFIDMREWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-dihydrothiochromene?
4,4-dimethyl-2,3-dihydrothiochromene has a molecular weight of 178.30 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dihydrothiochromene is sourced from PubChem (CID 11019430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).