ethyl benzenesulfinate

C8H10O2S — CID 6421224

IUPACethyl benzenesulfinate
SMILESCCOS(=O)c1ccccc1
InChIInChI=1S/C8H10O2S/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyJEJKYBWZGPZXAF-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.75
Rot. Bonds3

About ethyl benzenesulfinate

ethyl benzenesulfinate (PubChem CID 6421224) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is ethyl benzenesulfinate.

Molecular Properties

Compound Nameethyl benzenesulfinate
PubChem CID6421224
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Nameethyl benzenesulfinate
SMILESCCOS(=O)c1ccccc1
InChIInChI=1S/C8H10O2S/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyJEJKYBWZGPZXAF-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl benzenesulfinate?
The IUPAC name of ethyl benzenesulfinate (CID 6421224) is ethyl benzenesulfinate.
What is the SMILES notation for ethyl benzenesulfinate?
The canonical SMILES for ethyl benzenesulfinate is CCOS(=O)c1ccccc1.
What is the InChIKey of ethyl benzenesulfinate?
The InChIKey is JEJKYBWZGPZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl benzenesulfinate?
ethyl benzenesulfinate has a molecular weight of 170.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl benzenesulfinate is sourced from PubChem (CID 6421224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).