ethane-1,2-diol;oxo(sulfonyl)titanium

C2H6O5STi — CID 19844452

IUPACethane-1,2-diol;oxo(sulfonyl)titanium
SMILESO=[Ti]=S(=O)=O.OCCO
InChIInChI=1S/C2H6O2.O2S.O.Ti/c3-1-2-4;1-3-2;;/h3-4H,1-2H2;;;
InChIKeyIQYKJZMUUZCSJZ-UHFFFAOYSA-N
MW190.00 g/mol
LogP-1.82
Rot. Bonds1

About ethane-1,2-diol;oxo(sulfonyl)titanium

ethane-1,2-diol;oxo(sulfonyl)titanium (PubChem CID 19844452) has the molecular formula C2H6O5STi and a molecular weight of 190.00 g/mol. Its IUPAC name is ethane-1,2-diol;oxo(sulfonyl)titanium.

Molecular Properties

Compound Nameethane-1,2-diol;oxo(sulfonyl)titanium
PubChem CID19844452
Molecular FormulaC2H6O5STi
Molecular Weight190.00 g/mol
Exact Mass189.94
IUPAC Nameethane-1,2-diol;oxo(sulfonyl)titanium
SMILESO=[Ti]=S(=O)=O.OCCO
InChIInChI=1S/C2H6O2.O2S.O.Ti/c3-1-2-4;1-3-2;;/h3-4H,1-2H2;;;
InChIKeyIQYKJZMUUZCSJZ-UHFFFAOYSA-N
XLogP-1.82
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;oxo(sulfonyl)titanium?
The IUPAC name of ethane-1,2-diol;oxo(sulfonyl)titanium (CID 19844452) is ethane-1,2-diol;oxo(sulfonyl)titanium.
What is the SMILES notation for ethane-1,2-diol;oxo(sulfonyl)titanium?
The canonical SMILES for ethane-1,2-diol;oxo(sulfonyl)titanium is O=[Ti]=S(=O)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;oxo(sulfonyl)titanium?
The InChIKey is IQYKJZMUUZCSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.O2S.O.Ti/c3-1-2-4;1-3-2;;/h3-4H,1-2H2;;;.
What are the key properties of ethane-1,2-diol;oxo(sulfonyl)titanium?
ethane-1,2-diol;oxo(sulfonyl)titanium has a molecular weight of 190.00 g/mol, XLogP of -1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;oxo(sulfonyl)titanium is sourced from PubChem (CID 19844452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).