CID 173432224

C2H7O6S2- — CID 173432224

IUPAC—
SMILESCCOS(=O)(=O)O.O=[SH-]=O
InChIInChI=1S/C2H6O4S.HO2S/c1-2-6-7(3,4)5;1-3-2/h2H2,1H3,(H,3,4,5);3H/q;-1
InChIKeyRNVFOOOZWAOILS-UHFFFAOYSA-N
MW191.21 g/mol
LogP-0.68
Rot. Bonds2

About CID 173432224

CID 173432224 (PubChem CID 173432224) has the molecular formula C2H7O6S2- and a molecular weight of 191.21 g/mol.

Molecular Properties

Compound NameCID 173432224
PubChem CID173432224
Molecular FormulaC2H7O6S2-
Molecular Weight191.21 g/mol
Exact Mass190.97
IUPAC Name—
SMILESCCOS(=O)(=O)O.O=[SH-]=O
InChIInChI=1S/C2H6O4S.HO2S/c1-2-6-7(3,4)5;1-3-2/h2H2,1H3,(H,3,4,5);3H/q;-1
InChIKeyRNVFOOOZWAOILS-UHFFFAOYSA-N
XLogP-0.68
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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diethyl sulfate;sulfuric acid
CID 158458335
ethyl hydrogen sulfate;methyl butanoate
CID 87354898
ethoxymethyl hydrogen sulfate
CID 87959816
ethyl hydrogen sulfate;tributyl(ethyl)azanium
CID 158231583
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997

Frequently Asked Questions

What is the IUPAC name of CID 173432224?
The IUPAC name of CID 173432224 (CID 173432224) is not available.
What is the SMILES notation for CID 173432224?
The canonical SMILES for CID 173432224 is CCOS(=O)(=O)O.O=[SH-]=O.
What is the InChIKey of CID 173432224?
The InChIKey is RNVFOOOZWAOILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.HO2S/c1-2-6-7(3,4)5;1-3-2/h2H2,1H3,(H,3,4,5);3H/q;-1.
What are the key properties of CID 173432224?
CID 173432224 has a molecular weight of 191.21 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173432224 is sourced from PubChem (CID 173432224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).