3-methyl-9H-thioxanthene 10-oxide

C14H12OS — CID 66885365

IUPAC3-methyl-9H-thioxanthene 10-oxide
SMILESCc1ccc2c(c1)S(=O)c1ccccc1C2
InChIInChI=1S/C14H12OS/c1-10-6-7-12-9-11-4-2-3-5-13(11)16(15)14(12)8-10/h2-8H,9H2,1H3
InChIKeyNCFHKKXEROOEHN-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.07
Rot. Bonds

About 3-methyl-9H-thioxanthene 10-oxide

3-methyl-9H-thioxanthene 10-oxide (PubChem CID 66885365) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-methyl-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name3-methyl-9H-thioxanthene 10-oxide
PubChem CID66885365
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name3-methyl-9H-thioxanthene 10-oxide
SMILESCc1ccc2c(c1)S(=O)c1ccccc1C2
InChIInChI=1S/C14H12OS/c1-10-6-7-12-9-11-4-2-3-5-13(11)16(15)14(12)8-10/h2-8H,9H2,1H3
InChIKeyNCFHKKXEROOEHN-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9H-thioxanthene 10-oxide?
The IUPAC name of 3-methyl-9H-thioxanthene 10-oxide (CID 66885365) is 3-methyl-9H-thioxanthene 10-oxide.
What is the SMILES notation for 3-methyl-9H-thioxanthene 10-oxide?
The canonical SMILES for 3-methyl-9H-thioxanthene 10-oxide is Cc1ccc2c(c1)S(=O)c1ccccc1C2.
What is the InChIKey of 3-methyl-9H-thioxanthene 10-oxide?
The InChIKey is NCFHKKXEROOEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-10-6-7-12-9-11-4-2-3-5-13(11)16(15)14(12)8-10/h2-8H,9H2,1H3.
What are the key properties of 3-methyl-9H-thioxanthene 10-oxide?
3-methyl-9H-thioxanthene 10-oxide has a molecular weight of 228.32 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9H-thioxanthene 10-oxide is sourced from PubChem (CID 66885365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).