1-hydroxypropane-2-sulfonic acid;λ2-stannane

C3H10O4SSn — CID 175490512

IUPAC1-hydroxypropane-2-sulfonic acid;λ2-stannane
SMILESCC(CO)S(=O)(=O)O.[SnH2]
InChIInChI=1S/C3H8O4S.Sn.2H/c1-3(2-4)8(5,6)7;;;/h3-4H,2H2,1H3,(H,5,6,7);;;
InChIKeyPTNLYBLSJPGRIG-UHFFFAOYSA-N
MW260.89 g/mol
LogP-1.66
Rot. Bonds2

About 1-hydroxypropane-2-sulfonic acid;λ2-stannane

1-hydroxypropane-2-sulfonic acid;λ2-stannane (PubChem CID 175490512) has the molecular formula C3H10O4SSn and a molecular weight of 260.89 g/mol. Its IUPAC name is 1-hydroxypropane-2-sulfonic acid;λ2-stannane.

Molecular Properties

Compound Name1-hydroxypropane-2-sulfonic acid;λ2-stannane
PubChem CID175490512
Molecular FormulaC3H10O4SSn
Molecular Weight260.89 g/mol
Exact Mass261.93
IUPAC Name1-hydroxypropane-2-sulfonic acid;λ2-stannane
SMILESCC(CO)S(=O)(=O)O.[SnH2]
InChIInChI=1S/C3H8O4S.Sn.2H/c1-3(2-4)8(5,6)7;;;/h3-4H,2H2,1H3,(H,5,6,7);;;
InChIKeyPTNLYBLSJPGRIG-UHFFFAOYSA-N
XLogP-1.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.89
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropane-2-sulfonic acid;λ2-stannane?
The IUPAC name of 1-hydroxypropane-2-sulfonic acid;λ2-stannane (CID 175490512) is 1-hydroxypropane-2-sulfonic acid;λ2-stannane.
What is the SMILES notation for 1-hydroxypropane-2-sulfonic acid;λ2-stannane?
The canonical SMILES for 1-hydroxypropane-2-sulfonic acid;λ2-stannane is CC(CO)S(=O)(=O)O.[SnH2].
What is the InChIKey of 1-hydroxypropane-2-sulfonic acid;λ2-stannane?
The InChIKey is PTNLYBLSJPGRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4S.Sn.2H/c1-3(2-4)8(5,6)7;;;/h3-4H,2H2,1H3,(H,5,6,7);;;.
What are the key properties of 1-hydroxypropane-2-sulfonic acid;λ2-stannane?
1-hydroxypropane-2-sulfonic acid;λ2-stannane has a molecular weight of 260.89 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropane-2-sulfonic acid;λ2-stannane is sourced from PubChem (CID 175490512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).