calcium;hydride;2-methylprop-2-ene-1-sulfonic acid

C4H10CaO3S — CID 174879873

IUPACcalcium;hydride;2-methylprop-2-ene-1-sulfonic acid
SMILESC=C(C)CS(=O)(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H8O3S.Ca.2H/c1-4(2)3-8(5,6)7;;;/h1,3H2,2H3,(H,5,6,7);;;/q;+2;2*-1
InChIKeyCYVNEMKRDIWHFQ-UHFFFAOYSA-N
MW178.27 g/mol
LogP0.29
Rot. Bonds2

About calcium;hydride;2-methylprop-2-ene-1-sulfonic acid

calcium;hydride;2-methylprop-2-ene-1-sulfonic acid (PubChem CID 174879873) has the molecular formula C4H10CaO3S and a molecular weight of 178.27 g/mol. Its IUPAC name is calcium;hydride;2-methylprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namecalcium;hydride;2-methylprop-2-ene-1-sulfonic acid
PubChem CID174879873
Molecular FormulaC4H10CaO3S
Molecular Weight178.27 g/mol
Exact Mass178.00
IUPAC Namecalcium;hydride;2-methylprop-2-ene-1-sulfonic acid
SMILESC=C(C)CS(=O)(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H8O3S.Ca.2H/c1-4(2)3-8(5,6)7;;;/h1,3H2,2H3,(H,5,6,7);;;/q;+2;2*-1
InChIKeyCYVNEMKRDIWHFQ-UHFFFAOYSA-N
XLogP0.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879880
2-methylprop-2-ene-1-sulfonic acid;yttrium
CID 20670845
N,N-diethylethanamine;2-methylprop-2-ene-1-sulfonic acid
CID 174514420
2-methylprop-2-ene-1-sulfonic acid;pyridine
CID 87942262
1-methylimidazole;2-methylprop-2-ene-1-sulfonic acid
CID 173379549
prop-2-ene-1,2-disulfonic acid
CID 87689860
sodium 2-methylprop-2-ene-1-sulfonate
CID 23663624
2-methoxyprop-2-ene-1-sulfonic acid
CID 175208097
2-bromoprop-2-ene-1-sulfonic acid
CID 175061384
2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
2-methylidenepentane-1-sulfonic acid
CID 88537224
2,3-dioxobutane-1-sulfonic acid
CID 175261536

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-methylprop-2-ene-1-sulfonic acid?
The IUPAC name of calcium;hydride;2-methylprop-2-ene-1-sulfonic acid (CID 174879873) is calcium;hydride;2-methylprop-2-ene-1-sulfonic acid.
What is the SMILES notation for calcium;hydride;2-methylprop-2-ene-1-sulfonic acid?
The canonical SMILES for calcium;hydride;2-methylprop-2-ene-1-sulfonic acid is C=C(C)CS(=O)(=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-methylprop-2-ene-1-sulfonic acid?
The InChIKey is CYVNEMKRDIWHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.Ca.2H/c1-4(2)3-8(5,6)7;;;/h1,3H2,2H3,(H,5,6,7);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-methylprop-2-ene-1-sulfonic acid?
calcium;hydride;2-methylprop-2-ene-1-sulfonic acid has a molecular weight of 178.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-methylprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 174879873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).