1,2,3,4-tetrahydronaphthalene-1-sulfinate

C10H11O2S- — CID 68909659

IUPAC1,2,3,4-tetrahydronaphthalene-1-sulfinate
SMILESO=S([O-])C1CCCc2ccccc21
InChIInChI=1S/C10H12O2S/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,11,12)/p-1
InChIKeyIYISEJPCEFIPSJ-UHFFFAOYSA-M
MW195.26 g/mol
LogP1.94
Rot. Bonds1

About 1,2,3,4-tetrahydronaphthalene-1-sulfinate

1,2,3,4-tetrahydronaphthalene-1-sulfinate (PubChem CID 68909659) has the molecular formula C10H11O2S- and a molecular weight of 195.26 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-1-sulfinate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-1-sulfinate
PubChem CID68909659
Molecular FormulaC10H11O2S-
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name1,2,3,4-tetrahydronaphthalene-1-sulfinate
SMILESO=S([O-])C1CCCc2ccccc21
InChIInChI=1S/C10H12O2S/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,11,12)/p-1
InChIKeyIYISEJPCEFIPSJ-UHFFFAOYSA-M
XLogP1.94
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.94
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

sodium 2,3-dihydro-1H-indene-1-sulfinate
CID 139624777
2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfinyl)acetamide
CID 11514209
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
CID 102537231
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
CID 154243339

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene-1-sulfinate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-1-sulfinate (CID 68909659) is 1,2,3,4-tetrahydronaphthalene-1-sulfinate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-1-sulfinate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-1-sulfinate is O=S([O-])C1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-1-sulfinate?
The InChIKey is IYISEJPCEFIPSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O2S/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,11,12)/p-1.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-1-sulfinate?
1,2,3,4-tetrahydronaphthalene-1-sulfinate has a molecular weight of 195.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-1-sulfinate is sourced from PubChem (CID 68909659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).