3,4-dihydronaphthalene-2-sulfinate

C10H9O2S- — CID 147568847

IUPAC3,4-dihydronaphthalene-2-sulfinate
SMILESO=S([O-])C1=Cc2ccccc2CC1
InChIInChI=1S/C10H10O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2,(H,11,12)/p-1
InChIKeyYGXTYKGFPCLMQY-UHFFFAOYSA-M
MW193.25 g/mol
LogP1.85
Rot. Bonds1

About 3,4-dihydronaphthalene-2-sulfinate

3,4-dihydronaphthalene-2-sulfinate (PubChem CID 147568847) has the molecular formula C10H9O2S- and a molecular weight of 193.25 g/mol. Its IUPAC name is 3,4-dihydronaphthalene-2-sulfinate.

Molecular Properties

Compound Name3,4-dihydronaphthalene-2-sulfinate
PubChem CID147568847
Molecular FormulaC10H9O2S-
Molecular Weight193.25 g/mol
Exact Mass193.03
IUPAC Name3,4-dihydronaphthalene-2-sulfinate
SMILESO=S([O-])C1=Cc2ccccc2CC1
InChIInChI=1S/C10H10O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2,(H,11,12)/p-1
InChIKeyYGXTYKGFPCLMQY-UHFFFAOYSA-M
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydronaphthalene
CID 9938
1,4-Dihydronaphthalene
CID 69155
3-Phenylpropane-1-sulfonyl fluoride
CID 25017076
4-Phenylbutane-1-sulfonyl fluoride
CID 71452049
2-Phenylethane-1-sulfonyl chloride
CID 2760374
1,2-Dihydro-4-methylnaphthalene
CID 582327
2-Phenylethane-1-sulfonic acid
CID 417606
(2,6-dimethylphenyl)methanesulfonyl Chloride
CID 11218255
Benzeneethanesulfonyl fluoride
CID 12409713
3-Phenylpropane-1-sulfonic acid
CID 21752196
1,2,3,4-Tetrahydronaphthalene-1-sulfonamide
CID 21221891
5,6,7,8-Tetrahydronaphthalene-2-sulfonyl chloride
CID 4868371

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalene-2-sulfinate?
The IUPAC name of 3,4-dihydronaphthalene-2-sulfinate (CID 147568847) is 3,4-dihydronaphthalene-2-sulfinate.
What is the SMILES notation for 3,4-dihydronaphthalene-2-sulfinate?
The canonical SMILES for 3,4-dihydronaphthalene-2-sulfinate is O=S([O-])C1=Cc2ccccc2CC1.
What is the InChIKey of 3,4-dihydronaphthalene-2-sulfinate?
The InChIKey is YGXTYKGFPCLMQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O2S/c11-13(12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2,(H,11,12)/p-1.
What are the key properties of 3,4-dihydronaphthalene-2-sulfinate?
3,4-dihydronaphthalene-2-sulfinate has a molecular weight of 193.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalene-2-sulfinate is sourced from PubChem (CID 147568847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).