molecular hydrogen;naphthalene-2-sulfinic acid;hydrate

C10H12O3S — CID 145100322

IUPACmolecular hydrogen;naphthalene-2-sulfinic acid;hydrate
SMILESO.O=S(O)c1ccc2ccccc2c1.[H][H]
InChIInChI=1S/C10H8O2S.H2O.H2/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H,11,12);1H2;1H
InChIKeyJPWSQEBLAAMBNI-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.84
Rot. Bonds1

About molecular hydrogen;naphthalene-2-sulfinic acid;hydrate

molecular hydrogen;naphthalene-2-sulfinic acid;hydrate (PubChem CID 145100322) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is molecular hydrogen;naphthalene-2-sulfinic acid;hydrate.

Molecular Properties

Compound Namemolecular hydrogen;naphthalene-2-sulfinic acid;hydrate
PubChem CID145100322
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Namemolecular hydrogen;naphthalene-2-sulfinic acid;hydrate
SMILESO.O=S(O)c1ccc2ccccc2c1.[H][H]
InChIInChI=1S/C10H8O2S.H2O.H2/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H,11,12);1H2;1H
InChIKeyJPWSQEBLAAMBNI-UHFFFAOYSA-N
XLogP1.84
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 molecular hydrogen;naphthalene-2-sulfinic acid;hydrate?
The IUPAC name of molecular hydrogen;naphthalene-2-sulfinic acid;hydrate (CID 145100322) is molecular hydrogen;naphthalene-2-sulfinic acid;hydrate.
What is the SMILES notation for molecular hydrogen;naphthalene-2-sulfinic acid;hydrate?
The canonical SMILES for molecular hydrogen;naphthalene-2-sulfinic acid;hydrate is O.O=S(O)c1ccc2ccccc2c1.[H][H].
What is the InChIKey of molecular hydrogen;naphthalene-2-sulfinic acid;hydrate?
The InChIKey is JPWSQEBLAAMBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S.H2O.H2/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H,11,12);1H2;1H.
What are the key properties of molecular hydrogen;naphthalene-2-sulfinic acid;hydrate?
molecular hydrogen;naphthalene-2-sulfinic acid;hydrate has a molecular weight of 212.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;naphthalene-2-sulfinic acid;hydrate is sourced from PubChem (CID 145100322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).