9,9-bis(1-methoxy-2-methylpropyl)thioxanthene

C23H30O2S — CID 22140468

IUPAC9,9-bis(1-methoxy-2-methylpropyl)thioxanthene
SMILESCOC(C(C)C)C1(C(OC)C(C)C)c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H30O2S/c1-15(2)21(24-5)23(22(25-6)16(3)4)17-11-7-9-13-19(17)26-20-14-10-8-12-18(20)23/h7-16,21-22H,1-6H3
InChIKeyJJXOVBXCUPJFOJ-UHFFFAOYSA-N
MW370.56 g/mol
LogP5.78
Rot. Bonds6

About 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene

9,9-bis(1-methoxy-2-methylpropyl)thioxanthene (PubChem CID 22140468) has the molecular formula C23H30O2S and a molecular weight of 370.56 g/mol. Its IUPAC name is 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene.

Molecular Properties

Compound Name9,9-bis(1-methoxy-2-methylpropyl)thioxanthene
PubChem CID22140468
Molecular FormulaC23H30O2S
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name9,9-bis(1-methoxy-2-methylpropyl)thioxanthene
SMILESCOC(C(C)C)C1(C(OC)C(C)C)c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H30O2S/c1-15(2)21(24-5)23(22(25-6)16(3)4)17-11-7-9-13-19(17)26-20-14-10-8-12-18(20)23/h7-16,21-22H,1-6H3
InChIKeyJJXOVBXCUPJFOJ-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene?
The IUPAC name of 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene (CID 22140468) is 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene.
What is the SMILES notation for 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene?
The canonical SMILES for 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene is COC(C(C)C)C1(C(OC)C(C)C)c2ccccc2Sc2ccccc21.
What is the InChIKey of 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene?
The InChIKey is JJXOVBXCUPJFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2S/c1-15(2)21(24-5)23(22(25-6)16(3)4)17-11-7-9-13-19(17)26-20-14-10-8-12-18(20)23/h7-16,21-22H,1-6H3.
What are the key properties of 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene?
9,9-bis(1-methoxy-2-methylpropyl)thioxanthene has a molecular weight of 370.56 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(1-methoxy-2-methylpropyl)thioxanthene is sourced from PubChem (CID 22140468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).