ethyl [(E)-but-2-enyl]sulfonylformate

C7H12O4S — CID 134993028

IUPACethyl [(E)-but-2-enyl]sulfonylformate
SMILESC/C=C/CS(=O)(=O)C(=O)OCC
InChIInChI=1S/C7H12O4S/c1-3-5-6-12(9,10)7(8)11-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyWXWSCPHAVSNQCN-HWKANZROSA-N
MW192.24 g/mol
LogP1.13
Rot. Bonds3

About ethyl [(E)-but-2-enyl]sulfonylformate

ethyl [(E)-but-2-enyl]sulfonylformate (PubChem CID 134993028) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is ethyl [(E)-but-2-enyl]sulfonylformate.

Molecular Properties

Compound Nameethyl [(E)-but-2-enyl]sulfonylformate
PubChem CID134993028
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Nameethyl [(E)-but-2-enyl]sulfonylformate
SMILESC/C=C/CS(=O)(=O)C(=O)OCC
InChIInChI=1S/C7H12O4S/c1-3-5-6-12(9,10)7(8)11-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyWXWSCPHAVSNQCN-HWKANZROSA-N
XLogP1.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(E)-but-2-en-2-yl]sulfonylacetate
CID 21604324
Ethyl 2-prop-2-enylsulfonylacetate
CID 14648347
Prop-2-enyl prop-2-enylsulfonylformate
CID 87548904
Methyl 2-prop-2-enoxysulfonylacetate
CID 90310121
1-(2-Ethoxyethylsulfonyl)prop-1-ene
CID 126550218
Ethyl 2-prop-1-enylsulfonylacetate
CID 141543481
ethyl 2-[(E)-but-2-enyl]sulfonylacetate
CID 12007544
Methyl 2-prop-2-enylsulfonylacetate
CID 71692597
ethyl 2-[(Z)-but-2-enyl]sulfonylacetate
CID 101172783

Frequently Asked Questions

What is the IUPAC name of ethyl [(E)-but-2-enyl]sulfonylformate?
The IUPAC name of ethyl [(E)-but-2-enyl]sulfonylformate (CID 134993028) is ethyl [(E)-but-2-enyl]sulfonylformate.
What is the SMILES notation for ethyl [(E)-but-2-enyl]sulfonylformate?
The canonical SMILES for ethyl [(E)-but-2-enyl]sulfonylformate is C/C=C/CS(=O)(=O)C(=O)OCC.
What is the InChIKey of ethyl [(E)-but-2-enyl]sulfonylformate?
The InChIKey is WXWSCPHAVSNQCN-HWKANZROSA-N. The full InChI is InChI=1S/C7H12O4S/c1-3-5-6-12(9,10)7(8)11-4-2/h3,5H,4,6H2,1-2H3/b5-3+.
What are the key properties of ethyl [(E)-but-2-enyl]sulfonylformate?
ethyl [(E)-but-2-enyl]sulfonylformate has a molecular weight of 192.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(E)-but-2-enyl]sulfonylformate is sourced from PubChem (CID 134993028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).