dioxotitanium;9H-thioxanthene

C13H10O2STi — CID 174580063

IUPACdioxotitanium;9H-thioxanthene
SMILESO=[Ti]=O.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.2O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;;/h1-8H,9H2;;;
InChIKeyNHRNBHNABXFPJG-UHFFFAOYSA-N
MW278.16 g/mol
LogP3.50
Rot. Bonds

About dioxotitanium;9H-thioxanthene

dioxotitanium;9H-thioxanthene (PubChem CID 174580063) has the molecular formula C13H10O2STi and a molecular weight of 278.16 g/mol. Its IUPAC name is dioxotitanium;9H-thioxanthene.

Molecular Properties

Compound Namedioxotitanium;9H-thioxanthene
PubChem CID174580063
Molecular FormulaC13H10O2STi
Molecular Weight278.16 g/mol
Exact Mass277.99
IUPAC Namedioxotitanium;9H-thioxanthene
SMILESO=[Ti]=O.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.2O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;;/h1-8H,9H2;;;
InChIKeyNHRNBHNABXFPJG-UHFFFAOYSA-N
XLogP3.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dioxotitanium;9H-thioxanthene?
The IUPAC name of dioxotitanium;9H-thioxanthene (CID 174580063) is dioxotitanium;9H-thioxanthene.
What is the SMILES notation for dioxotitanium;9H-thioxanthene?
The canonical SMILES for dioxotitanium;9H-thioxanthene is O=[Ti]=O.c1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of dioxotitanium;9H-thioxanthene?
The InChIKey is NHRNBHNABXFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.2O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;;/h1-8H,9H2;;;.
What are the key properties of dioxotitanium;9H-thioxanthene?
dioxotitanium;9H-thioxanthene has a molecular weight of 278.16 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;9H-thioxanthene is sourced from PubChem (CID 174580063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).