dioxotitanium;thiolane

C4H8O2STi — CID 174292594

IUPACdioxotitanium;thiolane
SMILESC1CCSC1.O=[Ti]=O
InChIInChI=1S/C4H8S.2O.Ti/c1-2-4-5-3-1;;;/h1-4H2;;;
InChIKeyFHHCQIYLAQFBIZ-UHFFFAOYSA-N
MW168.04 g/mol
LogP1.27
Rot. Bonds

About dioxotitanium;thiolane

dioxotitanium;thiolane (PubChem CID 174292594) has the molecular formula C4H8O2STi and a molecular weight of 168.04 g/mol. Its IUPAC name is dioxotitanium;thiolane.

Molecular Properties

Compound Namedioxotitanium;thiolane
PubChem CID174292594
Molecular FormulaC4H8O2STi
Molecular Weight168.04 g/mol
Exact Mass167.97
IUPAC Namedioxotitanium;thiolane
SMILESC1CCSC1.O=[Ti]=O
InChIInChI=1S/C4H8S.2O.Ti/c1-2-4-5-3-1;;;/h1-4H2;;;
InChIKeyFHHCQIYLAQFBIZ-UHFFFAOYSA-N
XLogP1.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze dioxotitanium;thiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;thiolane?
The IUPAC name of dioxotitanium;thiolane (CID 174292594) is dioxotitanium;thiolane.
What is the SMILES notation for dioxotitanium;thiolane?
The canonical SMILES for dioxotitanium;thiolane is C1CCSC1.O=[Ti]=O.
What is the InChIKey of dioxotitanium;thiolane?
The InChIKey is FHHCQIYLAQFBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.2O.Ti/c1-2-4-5-3-1;;;/h1-4H2;;;.
What are the key properties of dioxotitanium;thiolane?
dioxotitanium;thiolane has a molecular weight of 168.04 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;thiolane is sourced from PubChem (CID 174292594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).