3-methyl-9H-thioxanthene 10,10-dioxide

C14H12O2S — CID 126688682

IUPAC3-methyl-9H-thioxanthene 10,10-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C14H12O2S/c1-10-6-7-12-9-11-4-2-3-5-13(11)17(15,16)14(12)8-10/h2-8H,9H2,1H3
InChIKeyBJUHTZBCQSTDNZ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.73
Rot. Bonds

About 3-methyl-9H-thioxanthene 10,10-dioxide

3-methyl-9H-thioxanthene 10,10-dioxide (PubChem CID 126688682) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-methyl-9H-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name3-methyl-9H-thioxanthene 10,10-dioxide
PubChem CID126688682
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name3-methyl-9H-thioxanthene 10,10-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C14H12O2S/c1-10-6-7-12-9-11-4-2-3-5-13(11)17(15,16)14(12)8-10/h2-8H,9H2,1H3
InChIKeyBJUHTZBCQSTDNZ-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9H-thioxanthene 10,10-dioxide?
The IUPAC name of 3-methyl-9H-thioxanthene 10,10-dioxide (CID 126688682) is 3-methyl-9H-thioxanthene 10,10-dioxide.
What is the SMILES notation for 3-methyl-9H-thioxanthene 10,10-dioxide?
The canonical SMILES for 3-methyl-9H-thioxanthene 10,10-dioxide is Cc1ccc2c(c1)S(=O)(=O)c1ccccc1C2.
What is the InChIKey of 3-methyl-9H-thioxanthene 10,10-dioxide?
The InChIKey is BJUHTZBCQSTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-10-6-7-12-9-11-4-2-3-5-13(11)17(15,16)14(12)8-10/h2-8H,9H2,1H3.
What are the key properties of 3-methyl-9H-thioxanthene 10,10-dioxide?
3-methyl-9H-thioxanthene 10,10-dioxide has a molecular weight of 244.32 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9H-thioxanthene 10,10-dioxide is sourced from PubChem (CID 126688682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).