dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)

Ca2O6S4 — CID 158989615

IUPACdicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
SMILESO=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ca+2].[Ca+2]
InChIInChI=1S/2Ca.2H2O3S2/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+2;;/p-4
InChIKeyJPZOROJGVCKUGW-UHFFFAOYSA-J
MW304.42 g/mol
LogP-2.77
Rot. Bonds

About dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)

dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane) (PubChem CID 158989615) has the molecular formula Ca2O6S4 and a molecular weight of 304.42 g/mol. Its IUPAC name is dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane).

Molecular Properties

Compound Namedicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
PubChem CID158989615
Molecular FormulaCa2O6S4
Molecular Weight304.42 g/mol
Exact Mass303.78
IUPAC Namedicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
SMILESO=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ca+2].[Ca+2]
InChIInChI=1S/2Ca.2H2O3S2/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+2;;/p-4
InChIKeyJPZOROJGVCKUGW-UHFFFAOYSA-J
XLogP-2.77
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tricalcium;bis(dioxido-oxo-sulfanylidene-λ6-sulfane);dichloride
CID 173166094
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 dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)?
The IUPAC name of dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane) (CID 158989615) is dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane).
What is the SMILES notation for dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)?
The canonical SMILES for dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane) is O=S([O-])([O-])=S.O=S([O-])([O-])=S.[Ca+2].[Ca+2].
What is the InChIKey of dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)?
The InChIKey is JPZOROJGVCKUGW-UHFFFAOYSA-J. The full InChI is InChI=1S/2Ca.2H2O3S2/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+2;;/p-4.
What are the key properties of dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)?
dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane) has a molecular weight of 304.42 g/mol, XLogP of -2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane) is sourced from PubChem (CID 158989615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).