methyl (Z)-3-ethoxysulfinylprop-2-enoate

C6H10O4S — CID 10702462

IUPACmethyl (Z)-3-ethoxysulfinylprop-2-enoate
SMILESCCOS(=O)/C=C\C(=O)OC
InChIInChI=1S/C6H10O4S/c1-3-10-11(8)5-4-6(7)9-2/h4-5H,3H2,1-2H3/b5-4-
InChIKeyUQOFOSRBFCBMKG-PLNGDYQASA-N
MW178.21 g/mol
LogP0.37
Rot. Bonds4

About methyl (Z)-3-ethoxysulfinylprop-2-enoate

methyl (Z)-3-ethoxysulfinylprop-2-enoate (PubChem CID 10702462) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is methyl (Z)-3-ethoxysulfinylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-ethoxysulfinylprop-2-enoate
PubChem CID10702462
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Namemethyl (Z)-3-ethoxysulfinylprop-2-enoate
SMILESCCOS(=O)/C=C\C(=O)OC
InChIInChI=1S/C6H10O4S/c1-3-10-11(8)5-4-6(7)9-2/h4-5H,3H2,1-2H3/b5-4-
InChIKeyUQOFOSRBFCBMKG-PLNGDYQASA-N
XLogP0.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-ethoxysulfinylprop-2-enoate?
The IUPAC name of methyl (Z)-3-ethoxysulfinylprop-2-enoate (CID 10702462) is methyl (Z)-3-ethoxysulfinylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-ethoxysulfinylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-ethoxysulfinylprop-2-enoate is CCOS(=O)/C=C\C(=O)OC.
What is the InChIKey of methyl (Z)-3-ethoxysulfinylprop-2-enoate?
The InChIKey is UQOFOSRBFCBMKG-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10O4S/c1-3-10-11(8)5-4-6(7)9-2/h4-5H,3H2,1-2H3/b5-4-.
What are the key properties of methyl (Z)-3-ethoxysulfinylprop-2-enoate?
methyl (Z)-3-ethoxysulfinylprop-2-enoate has a molecular weight of 178.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-ethoxysulfinylprop-2-enoate is sourced from PubChem (CID 10702462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).