CID 173372957

C2H12GeNO4S — CID 173372957

IUPAC—
SMILESO.O=S(=O)([O-])CC[GeH2].[NH4+]
InChIInChI=1S/C2H7GeO3S.H3N.H2O/c3-1-2-7(4,5)6;;/h1-3H2,(H,4,5,6);1H3;1H2
InChIKeyILHXWAFVCIMCBG-UHFFFAOYSA-N
MW218.80 g/mol
LogP-1.87
Rot. Bonds2

About CID 173372957

CID 173372957 (PubChem CID 173372957) has the molecular formula C2H12GeNO4S and a molecular weight of 218.80 g/mol.

Molecular Properties

Compound NameCID 173372957
PubChem CID173372957
Molecular FormulaC2H12GeNO4S
Molecular Weight218.80 g/mol
Exact Mass219.97
IUPAC Name—
SMILESO.O=S(=O)([O-])CC[GeH2].[NH4+]
InChIInChI=1S/C2H7GeO3S.H3N.H2O/c3-1-2-7(4,5)6;;/h1-3H2,(H,4,5,6);1H3;1H2
InChIKeyILHXWAFVCIMCBG-UHFFFAOYSA-N
XLogP-1.87
TPSA125.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.80
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dilithium;ethane-1,2-disulfonate
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ethane-1,2-disulfonate;silver
CID 87079782
strontium ethane-1,2-disulfonate
CID 87366284
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
azanium;cesium;sulfate
CID 19710911
lithium 2-cyanoethanesulfonate
CID 155666009
disodium;decane-1,10-disulfonate
CID 87519177
2-hydroxyethanesulfonate
CID 18931617
lithium propane-1-sulfonate
CID 131984534
CID 173372956
CID 173372956
lithium 2-fluoroethanesulfonate
CID 163830662

Frequently Asked Questions

What is the IUPAC name of CID 173372957?
The IUPAC name of CID 173372957 (CID 173372957) is not available.
What is the SMILES notation for CID 173372957?
The canonical SMILES for CID 173372957 is O.O=S(=O)([O-])CC[GeH2].[NH4+].
What is the InChIKey of CID 173372957?
The InChIKey is ILHXWAFVCIMCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7GeO3S.H3N.H2O/c3-1-2-7(4,5)6;;/h1-3H2,(H,4,5,6);1H3;1H2.
What are the key properties of CID 173372957?
CID 173372957 has a molecular weight of 218.80 g/mol, XLogP of -1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173372957 is sourced from PubChem (CID 173372957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).