10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium

C14H15S+ — CID 58683131

IUPAC10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium
SMILESC[S+]1c2ccccc2CC2C=CC=CC21
InChIInChI=1S/C14H15S/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-9,11,13H,10H2,1H3/q+1
InChIKeyGKTLBYDBTPWSFD-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.96
Rot. Bonds

About 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium

10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium (PubChem CID 58683131) has the molecular formula C14H15S+ and a molecular weight of 215.34 g/mol. Its IUPAC name is 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium.

Molecular Properties

Compound Name10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium
PubChem CID58683131
Molecular FormulaC14H15S+
Molecular Weight215.34 g/mol
Exact Mass215.09
IUPAC Name10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium
SMILESC[S+]1c2ccccc2CC2C=CC=CC21
InChIInChI=1S/C14H15S/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-9,11,13H,10H2,1H3/q+1
InChIKeyGKTLBYDBTPWSFD-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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1-methoxy-2-methyl-2,3-dihydro-1-benzothiophen-1-ium tetrafluoroborate
CID 134895710
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2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
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tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene
CID 22237211
methane;2-methyl-2,3-dihydro-1H-indene
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CID 12009073
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CID 59524660

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium?
The IUPAC name of 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium (CID 58683131) is 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium.
What is the SMILES notation for 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium?
The canonical SMILES for 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium is C[S+]1c2ccccc2CC2C=CC=CC21.
What is the InChIKey of 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium?
The InChIKey is GKTLBYDBTPWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15S/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-9,11,13H,10H2,1H3/q+1.
What are the key properties of 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium?
10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium has a molecular weight of 215.34 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium is sourced from PubChem (CID 58683131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).