sodium sulfenatooxyethane

C2H5NaO2S — CID 23700765

IUPACsodium sulfenatooxyethane
SMILESCCOS[O-].[Na+]
InChIInChI=1S/C2H6O2S.Na/c1-2-4-5-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKeyHFVFJQZHHMKCQH-UHFFFAOYSA-M
MW116.12 g/mol
LogP-2.19
Rot. Bonds2

About sodium sulfenatooxyethane

sodium sulfenatooxyethane (PubChem CID 23700765) has the molecular formula C2H5NaO2S and a molecular weight of 116.12 g/mol. Its IUPAC name is sodium sulfenatooxyethane.

Molecular Properties

Compound Namesodium sulfenatooxyethane
PubChem CID23700765
Molecular FormulaC2H5NaO2S
Molecular Weight116.12 g/mol
Exact Mass115.99
IUPAC Namesodium sulfenatooxyethane
SMILESCCOS[O-].[Na+]
InChIInChI=1S/C2H6O2S.Na/c1-2-4-5-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKeyHFVFJQZHHMKCQH-UHFFFAOYSA-M
XLogP-2.19
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium sulfenatooxyethane?
The IUPAC name of sodium sulfenatooxyethane (CID 23700765) is sodium sulfenatooxyethane.
What is the SMILES notation for sodium sulfenatooxyethane?
The canonical SMILES for sodium sulfenatooxyethane is CCOS[O-].[Na+].
What is the InChIKey of sodium sulfenatooxyethane?
The InChIKey is HFVFJQZHHMKCQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O2S.Na/c1-2-4-5-3;/h3H,2H2,1H3;/q;+1/p-1.
What are the key properties of sodium sulfenatooxyethane?
sodium sulfenatooxyethane has a molecular weight of 116.12 g/mol, XLogP of -2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium sulfenatooxyethane is sourced from PubChem (CID 23700765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).