bis(prop-2-enyl) sulfite

C6H10O3S — CID 12692803

IUPACbis(prop-2-enyl) sulfite
SMILESC=CCOS(=O)OCC=C
InChIInChI=1S/C6H10O3S/c1-3-5-8-10(7)9-6-4-2/h3-4H,1-2,5-6H2
InChIKeyYVECZSPKOWOZPN-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.97
Rot. Bonds6

About bis(prop-2-enyl) sulfite

bis(prop-2-enyl) sulfite (PubChem CID 12692803) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is bis(prop-2-enyl) sulfite.

Molecular Properties

Compound Namebis(prop-2-enyl) sulfite
PubChem CID12692803
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Namebis(prop-2-enyl) sulfite
SMILESC=CCOS(=O)OCC=C
InChIInChI=1S/C6H10O3S/c1-3-5-8-10(7)9-6-4-2/h3-4H,1-2,5-6H2
InChIKeyYVECZSPKOWOZPN-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) sulfite?
The IUPAC name of bis(prop-2-enyl) sulfite (CID 12692803) is bis(prop-2-enyl) sulfite.
What is the SMILES notation for bis(prop-2-enyl) sulfite?
The canonical SMILES for bis(prop-2-enyl) sulfite is C=CCOS(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) sulfite?
The InChIKey is YVECZSPKOWOZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-5-8-10(7)9-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of bis(prop-2-enyl) sulfite?
bis(prop-2-enyl) sulfite has a molecular weight of 162.21 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) sulfite is sourced from PubChem (CID 12692803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).