9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene

C14H24S — CID 614151

IUPAC9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
SMILESCC1C2CCCCC2SC2CCCCC21
InChIInChI=1S/C14H24S/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h10-14H,2-9H2,1H3
InChIKeyFGGXDTZWUCNTPS-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.49
Rot. Bonds

About 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene

9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene (PubChem CID 614151) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene.

Molecular Properties

Compound Name9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
PubChem CID614151
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
SMILESCC1C2CCCCC2SC2CCCCC21
InChIInChI=1S/C14H24S/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h10-14H,2-9H2,1H3
InChIKeyFGGXDTZWUCNTPS-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
The IUPAC name of 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene (CID 614151) is 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene.
What is the SMILES notation for 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
The canonical SMILES for 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene is CC1C2CCCCC2SC2CCCCC21.
What is the InChIKey of 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
The InChIKey is FGGXDTZWUCNTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h10-14H,2-9H2,1H3.
What are the key properties of 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene?
9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene has a molecular weight of 224.41 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene is sourced from PubChem (CID 614151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).