tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride

Ca3Cl2O6S4 — CID 173166094

IUPACtricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride
SMILESO=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ca+2].[Ca+2].[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/3Ca.2ClH.2H2O3S2/c;;;;;2*1-5(2,3)4/h;;;2*1H;2*(H2,1,2,3,4)/q3*+2;;;;/p-6
InChIKeyXVHUWWSIDPBDIO-UHFFFAOYSA-H
MW415.40 g/mol
LogP-9.15
Rot. Bonds

About tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride

tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride (PubChem CID 173166094) has the molecular formula Ca3Cl2O6S4 and a molecular weight of 415.40 g/mol. Its IUPAC name is tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride.

Molecular Properties

Compound Nametricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride
PubChem CID173166094
Molecular FormulaCa3Cl2O6S4
Molecular Weight415.40 g/mol
Exact Mass413.68
IUPAC Nametricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride
SMILESO=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ca+2].[Ca+2].[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/3Ca.2ClH.2H2O3S2/c;;;;;2*1-5(2,3)4/h;;;2*1H;2*(H2,1,2,3,4)/q3*+2;;;;/p-6
InChIKeyXVHUWWSIDPBDIO-UHFFFAOYSA-H
XLogP-9.15
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 5-9.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 158989615
dioxido-oxo-sulfanylidene-λ6-sulfane;bis(thallium(1+))
CID 23455058
bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+)
CID 172773772
azanium;dioxido-oxo-sulfanylidene-λ6-sulfane;platinum
CID 159475965
dioxido-oxo-sulfanylidene-λ6-sulfane;gold
CID 160979990
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
bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+);pentahydrate
CID 159783813
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688

Frequently Asked Questions

What is the IUPAC name of tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride?
The IUPAC name of tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride (CID 173166094) is tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride.
What is the SMILES notation for tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride?
The canonical SMILES for tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride is O=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ca+2].[Ca+2].[Ca+2].[Cl-].[Cl-].
What is the InChIKey of tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride?
The InChIKey is XVHUWWSIDPBDIO-UHFFFAOYSA-H. The full InChI is InChI=1S/3Ca.2ClH.2H2O3S2/c;;;;;2*1-5(2,3)4/h;;;2*1H;2*(H2,1,2,3,4)/q3*+2;;;;/p-6.
What are the key properties of tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride?
tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride has a molecular weight of 415.40 g/mol, XLogP of -9.15, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride is sourced from PubChem (CID 173166094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).