(E)-3-chloroprop-2-ene-1-sulfonic acid

C3H5ClO3S — CID 11105607

IUPAC(E)-3-chloroprop-2-ene-1-sulfonic acid
SMILESO=S(=O)(O)C/C=C/Cl
InChIInChI=1S/C3H5ClO3S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H,5,6,7)/b2-1+
InChIKeyYUDHKKOIWLKWEB-OWOJBTEDSA-N
MW156.59 g/mol
LogP0.63
Rot. Bonds2

About (E)-3-chloroprop-2-ene-1-sulfonic acid

(E)-3-chloroprop-2-ene-1-sulfonic acid (PubChem CID 11105607) has the molecular formula C3H5ClO3S and a molecular weight of 156.59 g/mol. Its IUPAC name is (E)-3-chloroprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-3-chloroprop-2-ene-1-sulfonic acid
PubChem CID11105607
Molecular FormulaC3H5ClO3S
Molecular Weight156.59 g/mol
Exact Mass155.96
IUPAC Name(E)-3-chloroprop-2-ene-1-sulfonic acid
SMILESO=S(=O)(O)C/C=C/Cl
InChIInChI=1S/C3H5ClO3S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H,5,6,7)/b2-1+
InChIKeyYUDHKKOIWLKWEB-OWOJBTEDSA-N
XLogP0.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloroprop-2-ene-1-sulfonyl chloride
CID 55280158
CID 168158763
CID 168158763
3-Chloroprop-2-ene-1-sulfonyl fluoride
CID 165453289
2-Chloroprop-2-ene-1-sulfonic acid
CID 151312
4-Chlorobut-2-ene-1-sulfonic acid
CID 4306843
(Z)-3-chloroprop-2-ene-1-sulfonamide
CID 11094865
(E)-3,3-dichloroprop-1-ene-1-sulfonic acid
CID 20326794
(E)-3-chloroprop-1-ene-1-sulfonic acid
CID 20326796
1-Chloroprop-2-ene-1-sulfonic acid
CID 20364287
1-Chloroprop-2-ene-1-sulfonyl chloride
CID 21419212
3-Chloroprop-1-ene-1-sulfonic acid
CID 53688569
3-Chloroprop-2-ene-1-sulfonic acid
CID 54527472

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloroprop-2-ene-1-sulfonic acid?
The IUPAC name of (E)-3-chloroprop-2-ene-1-sulfonic acid (CID 11105607) is (E)-3-chloroprop-2-ene-1-sulfonic acid.
What is the SMILES notation for (E)-3-chloroprop-2-ene-1-sulfonic acid?
The canonical SMILES for (E)-3-chloroprop-2-ene-1-sulfonic acid is O=S(=O)(O)C/C=C/Cl.
What is the InChIKey of (E)-3-chloroprop-2-ene-1-sulfonic acid?
The InChIKey is YUDHKKOIWLKWEB-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H5ClO3S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H,5,6,7)/b2-1+.
What are the key properties of (E)-3-chloroprop-2-ene-1-sulfonic acid?
(E)-3-chloroprop-2-ene-1-sulfonic acid has a molecular weight of 156.59 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloroprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 11105607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).