bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate

H10O11S4Ti — CID 159783813

IUPACbis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate
SMILESO.O.O.O.O.O=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ti+4]
InChIInChI=1S/2H2O3S2.5H2O.Ti/c2*1-5(2,3)4;;;;;;/h2*(H2,1,2,3,4);5*1H2;/q;;;;;;;+4/p-4
InChIKeyZMSRYKNCZLHJGQ-UHFFFAOYSA-J
MW362.20 g/mol
LogP-6.14
Rot. Bonds

About bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate

bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate (PubChem CID 159783813) has the molecular formula H10O11S4Ti and a molecular weight of 362.20 g/mol. Its IUPAC name is bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate.

Molecular Properties

Compound Namebis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate
PubChem CID159783813
Molecular FormulaH10O11S4Ti
Molecular Weight362.20 g/mol
Exact Mass361.86
IUPAC Namebis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate
SMILESO.O.O.O.O.O=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ti+4]
InChIInChI=1S/2H2O3S2.5H2O.Ti/c2*1-5(2,3)4;;;;;;/h2*(H2,1,2,3,4);5*1H2;/q;;;;;;;+4/p-4
InChIKeyZMSRYKNCZLHJGQ-UHFFFAOYSA-J
XLogP-6.14
TPSA283.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 5-6.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+)
CID 172773772
dioxido-oxo-sulfanylidene-λ6-sulfane;gold
CID 160979990
dioxido-oxo-sulfanylidene-λ6-sulfane;bis(thallium(1+))
CID 23455058
azanium;dioxido-oxo-sulfanylidene-λ6-sulfane;platinum
CID 159475965
dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 158989615
diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 6096946
decapotassium;pentakis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 174604001
bismuth;potassium;dioxido-oxo-sulfanylidene-lambda6-sulfane
CID 18448851
potassium;dioxido-oxo-sulfanylidene-λ6-sulfane;gold(1+)
CID 22218750
sodium;zinc;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18448863
tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride
CID 173166094
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688

Frequently Asked Questions

What is the IUPAC name of bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate?
The IUPAC name of bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate (CID 159783813) is bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate.
What is the SMILES notation for bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate?
The canonical SMILES for bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate is O.O.O.O.O.O=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ti+4].
What is the InChIKey of bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate?
The InChIKey is ZMSRYKNCZLHJGQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2H2O3S2.5H2O.Ti/c2*1-5(2,3)4;;;;;;/h2*(H2,1,2,3,4);5*1H2;/q;;;;;;;+4/p-4.
What are the key properties of bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate?
bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate has a molecular weight of 362.20 g/mol, XLogP of -6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate is sourced from PubChem (CID 159783813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).