hydrogen sulfite;hydrochloride

H2ClO3S- — CID 20537953

IUPAChydrogen sulfite;hydrochloride
SMILESCl.O=S([O-])O
InChIInChI=1S/ClH.H2O3S/c;1-4(2)3/h1H;(H2,1,2,3)/p-1
InChIKeyMPONAPFARZGDTH-UHFFFAOYSA-M
MW117.53 g/mol
LogP-0.24
Rot. Bonds

About hydrogen sulfite;hydrochloride

hydrogen sulfite;hydrochloride (PubChem CID 20537953) has the molecular formula H2ClO3S- and a molecular weight of 117.53 g/mol. Its IUPAC name is hydrogen sulfite;hydrochloride.

Molecular Properties

Compound Namehydrogen sulfite;hydrochloride
PubChem CID20537953
Molecular FormulaH2ClO3S-
Molecular Weight117.53 g/mol
Exact Mass116.94
IUPAC Namehydrogen sulfite;hydrochloride
SMILESCl.O=S([O-])O
InChIInChI=1S/ClH.H2O3S/c;1-4(2)3/h1H;(H2,1,2,3)/p-1
InChIKeyMPONAPFARZGDTH-UHFFFAOYSA-M
XLogP-0.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
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;hydrochloride?
The IUPAC name of hydrogen sulfite;hydrochloride (CID 20537953) is hydrogen sulfite;hydrochloride.
What is the SMILES notation for hydrogen sulfite;hydrochloride?
The canonical SMILES for hydrogen sulfite;hydrochloride is Cl.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;hydrochloride?
The InChIKey is MPONAPFARZGDTH-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.H2O3S/c;1-4(2)3/h1H;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;hydrochloride?
hydrogen sulfite;hydrochloride has a molecular weight of 117.53 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;hydrochloride is sourced from PubChem (CID 20537953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).