(Z)-3-iodyl-2-sulfoprop-2-enoic acid

C3H3IO7S — CID 23357612

IUPAC(Z)-3-iodyl-2-sulfoprop-2-enoic acid
SMILESO=C(O)/C(=C/I(=O)=O)S(=O)(=O)O
InChIInChI=1S/C3H3IO7S/c5-3(6)2(1-4(7)8)12(9,10)11/h1H,(H,5,6)(H,9,10,11)/b2-1-
InChIKeyHJHKZPIVIFGJRR-UPHRSURJSA-N
MW310.02 g/mol
LogP-0.00
Rot. Bonds3

About (Z)-3-iodyl-2-sulfoprop-2-enoic acid

(Z)-3-iodyl-2-sulfoprop-2-enoic acid (PubChem CID 23357612) has the molecular formula C3H3IO7S and a molecular weight of 310.02 g/mol. Its IUPAC name is (Z)-3-iodyl-2-sulfoprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-iodyl-2-sulfoprop-2-enoic acid
PubChem CID23357612
Molecular FormulaC3H3IO7S
Molecular Weight310.02 g/mol
Exact Mass309.86
IUPAC Name(Z)-3-iodyl-2-sulfoprop-2-enoic acid
SMILESO=C(O)/C(=C/I(=O)=O)S(=O)(=O)O
InChIInChI=1S/C3H3IO7S/c5-3(6)2(1-4(7)8)12(9,10)11/h1H,(H,5,6)(H,9,10,11)/b2-1-
InChIKeyHJHKZPIVIFGJRR-UPHRSURJSA-N
XLogP-0.00
TPSA125.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodyl-2-sulfoprop-2-enoic acid?
The IUPAC name of (Z)-3-iodyl-2-sulfoprop-2-enoic acid (CID 23357612) is (Z)-3-iodyl-2-sulfoprop-2-enoic acid.
What is the SMILES notation for (Z)-3-iodyl-2-sulfoprop-2-enoic acid?
The canonical SMILES for (Z)-3-iodyl-2-sulfoprop-2-enoic acid is O=C(O)/C(=C/I(=O)=O)S(=O)(=O)O.
What is the InChIKey of (Z)-3-iodyl-2-sulfoprop-2-enoic acid?
The InChIKey is HJHKZPIVIFGJRR-UPHRSURJSA-N. The full InChI is InChI=1S/C3H3IO7S/c5-3(6)2(1-4(7)8)12(9,10)11/h1H,(H,5,6)(H,9,10,11)/b2-1-.
What are the key properties of (Z)-3-iodyl-2-sulfoprop-2-enoic acid?
(Z)-3-iodyl-2-sulfoprop-2-enoic acid has a molecular weight of 310.02 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodyl-2-sulfoprop-2-enoic acid is sourced from PubChem (CID 23357612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).