hydrogen sulfite;propan-2-ylazanium

C3H11NO3S — CID 22486968

IUPAChydrogen sulfite;propan-2-ylazanium
SMILESCC(C)[NH3+].O=S([O-])O
InChIInChI=1S/C3H9N.H2O3S/c1-3(2)4;1-4(2)3/h3H,4H2,1-2H3;(H2,1,2,3)
InChIKeyRPTSRZSQELFJFK-UHFFFAOYSA-N
MW141.19 g/mol
LogP-1.02
Rot. Bonds

About hydrogen sulfite;propan-2-ylazanium

hydrogen sulfite;propan-2-ylazanium (PubChem CID 22486968) has the molecular formula C3H11NO3S and a molecular weight of 141.19 g/mol. Its IUPAC name is hydrogen sulfite;propan-2-ylazanium.

Molecular Properties

Compound Namehydrogen sulfite;propan-2-ylazanium
PubChem CID22486968
Molecular FormulaC3H11NO3S
Molecular Weight141.19 g/mol
Exact Mass141.05
IUPAC Namehydrogen sulfite;propan-2-ylazanium
SMILESCC(C)[NH3+].O=S([O-])O
InChIInChI=1S/C3H9N.H2O3S/c1-3(2)4;1-4(2)3/h3H,4H2,1-2H3;(H2,1,2,3)
InChIKeyRPTSRZSQELFJFK-UHFFFAOYSA-N
XLogP-1.02
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;propan-2-ylazanium?
The IUPAC name of hydrogen sulfite;propan-2-ylazanium (CID 22486968) is hydrogen sulfite;propan-2-ylazanium.
What is the SMILES notation for hydrogen sulfite;propan-2-ylazanium?
The canonical SMILES for hydrogen sulfite;propan-2-ylazanium is CC(C)[NH3+].O=S([O-])O.
What is the InChIKey of hydrogen sulfite;propan-2-ylazanium?
The InChIKey is RPTSRZSQELFJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.H2O3S/c1-3(2)4;1-4(2)3/h3H,4H2,1-2H3;(H2,1,2,3).
What are the key properties of hydrogen sulfite;propan-2-ylazanium?
hydrogen sulfite;propan-2-ylazanium has a molecular weight of 141.19 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;propan-2-ylazanium is sourced from PubChem (CID 22486968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).