2,2,6-trimethylthiochromene 1-oxide

C12H14OS — CID 4143337

IUPAC2,2,6-trimethylthiochromene 1-oxide
SMILESCc1ccc2c(c1)C=CC(C)(C)S2=O
InChIInChI=1S/C12H14OS/c1-9-4-5-11-10(8-9)6-7-12(2,3)14(11)13/h4-8H,1-3H3
InChIKeyOWRDGESCAWHHGA-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.91
Rot. Bonds

About 2,2,6-trimethylthiochromene 1-oxide

2,2,6-trimethylthiochromene 1-oxide (PubChem CID 4143337) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2,2,6-trimethylthiochromene 1-oxide.

Molecular Properties

Compound Name2,2,6-trimethylthiochromene 1-oxide
PubChem CID4143337
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2,2,6-trimethylthiochromene 1-oxide
SMILESCc1ccc2c(c1)C=CC(C)(C)S2=O
InChIInChI=1S/C12H14OS/c1-9-4-5-11-10(8-9)6-7-12(2,3)14(11)13/h4-8H,1-3H3
InChIKeyOWRDGESCAWHHGA-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethylthiochromene 1-oxide?
The IUPAC name of 2,2,6-trimethylthiochromene 1-oxide (CID 4143337) is 2,2,6-trimethylthiochromene 1-oxide.
What is the SMILES notation for 2,2,6-trimethylthiochromene 1-oxide?
The canonical SMILES for 2,2,6-trimethylthiochromene 1-oxide is Cc1ccc2c(c1)C=CC(C)(C)S2=O.
What is the InChIKey of 2,2,6-trimethylthiochromene 1-oxide?
The InChIKey is OWRDGESCAWHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-9-4-5-11-10(8-9)6-7-12(2,3)14(11)13/h4-8H,1-3H3.
What are the key properties of 2,2,6-trimethylthiochromene 1-oxide?
2,2,6-trimethylthiochromene 1-oxide has a molecular weight of 206.31 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethylthiochromene 1-oxide is sourced from PubChem (CID 4143337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).