ethene;ethenyl hydrogen sulfite

C4H8O3S — CID 87173338

IUPACethene;ethenyl hydrogen sulfite
SMILESC=C.C=COS(=O)O
InChIInChI=1S/C2H4O3S.C2H4/c1-2-5-6(3)4;1-2/h2H,1H2,(H,3,4);1-2H2
InChIKeyAZMFPLDNKPTEIA-UHFFFAOYSA-N
MW136.17 g/mol
LogP1.09
Rot. Bonds2

About ethene;ethenyl hydrogen sulfite

ethene;ethenyl hydrogen sulfite (PubChem CID 87173338) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is ethene;ethenyl hydrogen sulfite.

Molecular Properties

Compound Nameethene;ethenyl hydrogen sulfite
PubChem CID87173338
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Nameethene;ethenyl hydrogen sulfite
SMILESC=C.C=COS(=O)O
InChIInChI=1S/C2H4O3S.C2H4/c1-2-5-6(3)4;1-2/h2H,1H2,(H,3,4);1-2H2
InChIKeyAZMFPLDNKPTEIA-UHFFFAOYSA-N
XLogP1.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;ethenyl hydrogen sulfite?
The IUPAC name of ethene;ethenyl hydrogen sulfite (CID 87173338) is ethene;ethenyl hydrogen sulfite.
What is the SMILES notation for ethene;ethenyl hydrogen sulfite?
The canonical SMILES for ethene;ethenyl hydrogen sulfite is C=C.C=COS(=O)O.
What is the InChIKey of ethene;ethenyl hydrogen sulfite?
The InChIKey is AZMFPLDNKPTEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S.C2H4/c1-2-5-6(3)4;1-2/h2H,1H2,(H,3,4);1-2H2.
What are the key properties of ethene;ethenyl hydrogen sulfite?
ethene;ethenyl hydrogen sulfite has a molecular weight of 136.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenyl hydrogen sulfite is sourced from PubChem (CID 87173338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).