carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine

C8H15NO4S — CID 71405468

IUPACcarbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
SMILESC=C(OCC)C1NCCS1.O=C(O)O
InChIInChI=1S/C7H13NOS.CH2O3/c1-3-9-6(2)7-8-4-5-10-7;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4)
InChIKeyWLQCAFPMWKGGSC-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.42
Rot. Bonds3

About carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine

carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine (PubChem CID 71405468) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine.

Molecular Properties

Compound Namecarbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
PubChem CID71405468
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namecarbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
SMILESC=C(OCC)C1NCCS1.O=C(O)O
InChIInChI=1S/C7H13NOS.CH2O3/c1-3-9-6(2)7-8-4-5-10-7;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4)
InChIKeyWLQCAFPMWKGGSC-UHFFFAOYSA-N
XLogP1.42
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine?
The IUPAC name of carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine (CID 71405468) is carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine.
What is the SMILES notation for carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine?
The canonical SMILES for carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine is C=C(OCC)C1NCCS1.O=C(O)O.
What is the InChIKey of carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine?
The InChIKey is WLQCAFPMWKGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS.CH2O3/c1-3-9-6(2)7-8-4-5-10-7;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine?
carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine has a molecular weight of 221.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine is sourced from PubChem (CID 71405468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).