cyclohexene-1-sulfinic acid

C6H10O2S — CID 57059362

IUPACcyclohexene-1-sulfinic acid
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)
InChIKeyGWTOYTFOXRNVDP-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.67
Rot. Bonds1

About cyclohexene-1-sulfinic acid

cyclohexene-1-sulfinic acid (PubChem CID 57059362) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is cyclohexene-1-sulfinic acid.

Molecular Properties

Compound Namecyclohexene-1-sulfinic acid
PubChem CID57059362
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Namecyclohexene-1-sulfinic acid
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)
InChIKeyGWTOYTFOXRNVDP-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-sulfinic acid?
The IUPAC name of cyclohexene-1-sulfinic acid (CID 57059362) is cyclohexene-1-sulfinic acid.
What is the SMILES notation for cyclohexene-1-sulfinic acid?
The canonical SMILES for cyclohexene-1-sulfinic acid is O=S(O)C1=CCCCC1.
What is the InChIKey of cyclohexene-1-sulfinic acid?
The InChIKey is GWTOYTFOXRNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c7-9(8)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8).
What are the key properties of cyclohexene-1-sulfinic acid?
cyclohexene-1-sulfinic acid has a molecular weight of 146.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-sulfinic acid is sourced from PubChem (CID 57059362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).