cyclopenta-1,3-diene-1-sulfinate

C5H5O2S- — CID 59956680

IUPACcyclopenta-1,3-diene-1-sulfinate
SMILESO=S([O-])C1=CC=CC1
InChIInChI=1S/C5H6O2S/c6-8(7)5-3-1-2-4-5/h1-3H,4H2,(H,6,7)/p-1
InChIKeySRFPWFHEUJVPFL-UHFFFAOYSA-M
MW129.16 g/mol
LogP0.71
Rot. Bonds1

About cyclopenta-1,3-diene-1-sulfinate

cyclopenta-1,3-diene-1-sulfinate (PubChem CID 59956680) has the molecular formula C5H5O2S- and a molecular weight of 129.16 g/mol. Its IUPAC name is cyclopenta-1,3-diene-1-sulfinate.

Molecular Properties

Compound Namecyclopenta-1,3-diene-1-sulfinate
PubChem CID59956680
Molecular FormulaC5H5O2S-
Molecular Weight129.16 g/mol
Exact Mass129.00
IUPAC Namecyclopenta-1,3-diene-1-sulfinate
SMILESO=S([O-])C1=CC=CC1
InChIInChI=1S/C5H6O2S/c6-8(7)5-3-1-2-4-5/h1-3H,4H2,(H,6,7)/p-1
InChIKeySRFPWFHEUJVPFL-UHFFFAOYSA-M
XLogP0.71
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.71
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 cyclopenta-1,3-diene-1-sulfinate?
The IUPAC name of cyclopenta-1,3-diene-1-sulfinate (CID 59956680) is cyclopenta-1,3-diene-1-sulfinate.
What is the SMILES notation for cyclopenta-1,3-diene-1-sulfinate?
The canonical SMILES for cyclopenta-1,3-diene-1-sulfinate is O=S([O-])C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene-1-sulfinate?
The InChIKey is SRFPWFHEUJVPFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6O2S/c6-8(7)5-3-1-2-4-5/h1-3H,4H2,(H,6,7)/p-1.
What are the key properties of cyclopenta-1,3-diene-1-sulfinate?
cyclopenta-1,3-diene-1-sulfinate has a molecular weight of 129.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene-1-sulfinate is sourced from PubChem (CID 59956680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).