cyclohexene-1-sulfinate

C6H9O2S- — CID 57059361

IUPACcyclohexene-1-sulfinate
SMILESO=S([O-])C1=CCCCC1
InChIInChI=1S/C6H10O2S/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8)/p-1
InChIKeyGWTOYTFOXRNVDP-UHFFFAOYSA-M
MW145.20 g/mol
LogP1.32
Rot. Bonds1

About cyclohexene-1-sulfinate

cyclohexene-1-sulfinate (PubChem CID 57059361) has the molecular formula C6H9O2S- and a molecular weight of 145.20 g/mol. Its IUPAC name is cyclohexene-1-sulfinate.

Molecular Properties

Compound Namecyclohexene-1-sulfinate
PubChem CID57059361
Molecular FormulaC6H9O2S-
Molecular Weight145.20 g/mol
Exact Mass145.03
IUPAC Namecyclohexene-1-sulfinate
SMILESO=S([O-])C1=CCCCC1
InChIInChI=1S/C6H10O2S/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8)/p-1
InChIKeyGWTOYTFOXRNVDP-UHFFFAOYSA-M
XLogP1.32
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.32
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 cyclohexene-1-sulfinate?
The IUPAC name of cyclohexene-1-sulfinate (CID 57059361) is cyclohexene-1-sulfinate.
What is the SMILES notation for cyclohexene-1-sulfinate?
The canonical SMILES for cyclohexene-1-sulfinate is O=S([O-])C1=CCCCC1.
What is the InChIKey of cyclohexene-1-sulfinate?
The InChIKey is GWTOYTFOXRNVDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O2S/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8)/p-1.
What are the key properties of cyclohexene-1-sulfinate?
cyclohexene-1-sulfinate has a molecular weight of 145.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-sulfinate is sourced from PubChem (CID 57059361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).