hydrogen sulfite;methanol;hydrochloride

CH6ClO4S- — CID 174961977

IUPAChydrogen sulfite;methanol;hydrochloride
SMILESCO.Cl.O=S([O-])O
InChIInChI=1S/CH4O.ClH.H2O3S/c1-2;;1-4(2)3/h2H,1H3;1H;(H2,1,2,3)/p-1
InChIKeyPDNBIJOOPLRWDY-UHFFFAOYSA-M
MW149.57 g/mol
LogP-0.63
Rot. Bonds

About hydrogen sulfite;methanol;hydrochloride

hydrogen sulfite;methanol;hydrochloride (PubChem CID 174961977) has the molecular formula CH6ClO4S- and a molecular weight of 149.57 g/mol. Its IUPAC name is hydrogen sulfite;methanol;hydrochloride.

Molecular Properties

Compound Namehydrogen sulfite;methanol;hydrochloride
PubChem CID174961977
Molecular FormulaCH6ClO4S-
Molecular Weight149.57 g/mol
Exact Mass148.97
IUPAC Namehydrogen sulfite;methanol;hydrochloride
SMILESCO.Cl.O=S([O-])O
InChIInChI=1S/CH4O.ClH.H2O3S/c1-2;;1-4(2)3/h2H,1H3;1H;(H2,1,2,3)/p-1
InChIKeyPDNBIJOOPLRWDY-UHFFFAOYSA-M
XLogP-0.63
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.57
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;methanol;hydrochloride?
The IUPAC name of hydrogen sulfite;methanol;hydrochloride (CID 174961977) is hydrogen sulfite;methanol;hydrochloride.
What is the SMILES notation for hydrogen sulfite;methanol;hydrochloride?
The canonical SMILES for hydrogen sulfite;methanol;hydrochloride is CO.Cl.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;methanol;hydrochloride?
The InChIKey is PDNBIJOOPLRWDY-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O.ClH.H2O3S/c1-2;;1-4(2)3/h2H,1H3;1H;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;methanol;hydrochloride?
hydrogen sulfite;methanol;hydrochloride has a molecular weight of 149.57 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;methanol;hydrochloride is sourced from PubChem (CID 174961977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).