hydrogen sulfite;naphthalen-1-amine

C10H10NO3S- — CID 174331156

IUPAChydrogen sulfite;naphthalen-1-amine
SMILESNc1cccc2ccccc12.O=S([O-])O
InChIInChI=1S/C10H9N.H2O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)3/h1-7H,11H2;(H2,1,2,3)/p-1
InChIKeyNOIHXXSBAZERSH-UHFFFAOYSA-M
MW224.26 g/mol
LogP1.76
Rot. Bonds

About hydrogen sulfite;naphthalen-1-amine

hydrogen sulfite;naphthalen-1-amine (PubChem CID 174331156) has the molecular formula C10H10NO3S- and a molecular weight of 224.26 g/mol. Its IUPAC name is hydrogen sulfite;naphthalen-1-amine.

Molecular Properties

Compound Namehydrogen sulfite;naphthalen-1-amine
PubChem CID174331156
Molecular FormulaC10H10NO3S-
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Namehydrogen sulfite;naphthalen-1-amine
SMILESNc1cccc2ccccc12.O=S([O-])O
InChIInChI=1S/C10H9N.H2O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)3/h1-7H,11H2;(H2,1,2,3)/p-1
InChIKeyNOIHXXSBAZERSH-UHFFFAOYSA-M
XLogP1.76
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;naphthalen-1-amine?
The IUPAC name of hydrogen sulfite;naphthalen-1-amine (CID 174331156) is hydrogen sulfite;naphthalen-1-amine.
What is the SMILES notation for hydrogen sulfite;naphthalen-1-amine?
The canonical SMILES for hydrogen sulfite;naphthalen-1-amine is Nc1cccc2ccccc12.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;naphthalen-1-amine?
The InChIKey is NOIHXXSBAZERSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9N.H2O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-4(2)3/h1-7H,11H2;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;naphthalen-1-amine?
hydrogen sulfite;naphthalen-1-amine has a molecular weight of 224.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;naphthalen-1-amine is sourced from PubChem (CID 174331156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).