4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide

C12H16O2S — CID 70336746

IUPAC4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide
SMILESCc1ccc2c(c1)C(C)(C)CCS2(=O)=O
InChIInChI=1S/C12H16O2S/c1-9-4-5-11-10(8-9)12(2,3)6-7-15(11,13)14/h4-5,8H,6-7H2,1-3H3
InChIKeyRGYAAVBOGDTDIB-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.45
Rot. Bonds

About 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide

4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide (PubChem CID 70336746) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide.

Molecular Properties

Compound Name4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide
PubChem CID70336746
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide
SMILESCc1ccc2c(c1)C(C)(C)CCS2(=O)=O
InChIInChI=1S/C12H16O2S/c1-9-4-5-11-10(8-9)12(2,3)6-7-15(11,13)14/h4-5,8H,6-7H2,1-3H3
InChIKeyRGYAAVBOGDTDIB-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide?
The IUPAC name of 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide (CID 70336746) is 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide.
What is the SMILES notation for 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide?
The canonical SMILES for 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide is Cc1ccc2c(c1)C(C)(C)CCS2(=O)=O.
What is the InChIKey of 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide?
The InChIKey is RGYAAVBOGDTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-4-5-11-10(8-9)12(2,3)6-7-15(11,13)14/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide?
4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide has a molecular weight of 224.32 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide is sourced from PubChem (CID 70336746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).