dioxotitanium;1,3-thiazolidine

C3H7NO2STi — CID 174248125

IUPACdioxotitanium;1,3-thiazolidine
SMILESC1CSCN1.O=[Ti]=O
InChIInChI=1S/C3H7NS.2O.Ti/c1-2-5-3-4-1;;;/h4H,1-3H2;;;
InChIKeyZVSPIMUOMOBGRV-UHFFFAOYSA-N
MW169.03 g/mol
LogP0.04
Rot. Bonds

About dioxotitanium;1,3-thiazolidine

dioxotitanium;1,3-thiazolidine (PubChem CID 174248125) has the molecular formula C3H7NO2STi and a molecular weight of 169.03 g/mol. Its IUPAC name is dioxotitanium;1,3-thiazolidine.

Molecular Properties

Compound Namedioxotitanium;1,3-thiazolidine
PubChem CID174248125
Molecular FormulaC3H7NO2STi
Molecular Weight169.03 g/mol
Exact Mass168.97
IUPAC Namedioxotitanium;1,3-thiazolidine
SMILESC1CSCN1.O=[Ti]=O
InChIInChI=1S/C3H7NS.2O.Ti/c1-2-5-3-4-1;;;/h4H,1-3H2;;;
InChIKeyZVSPIMUOMOBGRV-UHFFFAOYSA-N
XLogP0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.03
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1,3,6-thiadiazepane
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(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine
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sulfane;thiomorpholine
CID 66634085
thiomorpholine;trihydrochloride
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phosphoric acid;thiomorpholine
CID 174982514
azepane;1,3-oxazinane;1,3-oxazolidine;piperidine;pyrrolidine;1,3-thiazinane;1,3-thiazolidine
CID 159808302
1,2,4-dithiazinane
CID 171905454
1,4-dithiane;ethane;thiomorpholine
CID 145202008
1-thia-4,9-diazacycloundecane
CID 175425397
3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine
CID 174310431

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;1,3-thiazolidine?
The IUPAC name of dioxotitanium;1,3-thiazolidine (CID 174248125) is dioxotitanium;1,3-thiazolidine.
What is the SMILES notation for dioxotitanium;1,3-thiazolidine?
The canonical SMILES for dioxotitanium;1,3-thiazolidine is C1CSCN1.O=[Ti]=O.
What is the InChIKey of dioxotitanium;1,3-thiazolidine?
The InChIKey is ZVSPIMUOMOBGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS.2O.Ti/c1-2-5-3-4-1;;;/h4H,1-3H2;;;.
What are the key properties of dioxotitanium;1,3-thiazolidine?
dioxotitanium;1,3-thiazolidine has a molecular weight of 169.03 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;1,3-thiazolidine is sourced from PubChem (CID 174248125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).