4a,5-dihydronaphthalene-2-sulfinate

C10H9O2S- — CID 56983180

IUPAC4a,5-dihydronaphthalene-2-sulfinate
SMILESO=S([O-])C1=CC2=CC=CCC2C=C1
InChIInChI=1S/C10H10O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-2,4-8H,3H2,(H,11,12)/p-1
InChIKeyIPARXLYIRLZHKR-UHFFFAOYSA-M
MW193.25 g/mol
LogP1.82
Rot. Bonds1

About 4a,5-dihydronaphthalene-2-sulfinate

4a,5-dihydronaphthalene-2-sulfinate (PubChem CID 56983180) has the molecular formula C10H9O2S- and a molecular weight of 193.25 g/mol. Its IUPAC name is 4a,5-dihydronaphthalene-2-sulfinate.

Molecular Properties

Compound Name4a,5-dihydronaphthalene-2-sulfinate
PubChem CID56983180
Molecular FormulaC10H9O2S-
Molecular Weight193.25 g/mol
Exact Mass193.03
IUPAC Name4a,5-dihydronaphthalene-2-sulfinate
SMILESO=S([O-])C1=CC2=CC=CCC2C=C1
InChIInChI=1S/C10H10O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-2,4-8H,3H2,(H,11,12)/p-1
InChIKeyIPARXLYIRLZHKR-UHFFFAOYSA-M
XLogP1.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 4a,5-dihydronaphthalene-2-sulfinate?
The IUPAC name of 4a,5-dihydronaphthalene-2-sulfinate (CID 56983180) is 4a,5-dihydronaphthalene-2-sulfinate.
What is the SMILES notation for 4a,5-dihydronaphthalene-2-sulfinate?
The canonical SMILES for 4a,5-dihydronaphthalene-2-sulfinate is O=S([O-])C1=CC2=CC=CCC2C=C1.
What is the InChIKey of 4a,5-dihydronaphthalene-2-sulfinate?
The InChIKey is IPARXLYIRLZHKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-2,4-8H,3H2,(H,11,12)/p-1.
What are the key properties of 4a,5-dihydronaphthalene-2-sulfinate?
4a,5-dihydronaphthalene-2-sulfinate has a molecular weight of 193.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydronaphthalene-2-sulfinate is sourced from PubChem (CID 56983180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).