4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione

C5H3NO3S2 — CID 59815880

IUPAC4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione
SMILESC=CC(=O)n1c(=O)ssc1=O
InChIInChI=1S/C5H3NO3S2/c1-2-3(7)6-4(8)10-11-5(6)9/h2H,1H2
InChIKeyLROKMZZNZDHSRC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.16
Rot. Bonds1

About 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione

4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione (PubChem CID 59815880) has the molecular formula C5H3NO3S2 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione.

Molecular Properties

Compound Name4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione
PubChem CID59815880
Molecular FormulaC5H3NO3S2
Molecular Weight189.22 g/mol
Exact Mass188.96
IUPAC Name4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione
SMILESC=CC(=O)n1c(=O)ssc1=O
InChIInChI=1S/C5H3NO3S2/c1-2-3(7)6-4(8)10-11-5(6)9/h2H,1H2
InChIKeyLROKMZZNZDHSRC-UHFFFAOYSA-N
XLogP0.16
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione?
The IUPAC name of 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione (CID 59815880) is 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione.
What is the SMILES notation for 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione?
The canonical SMILES for 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione is C=CC(=O)n1c(=O)ssc1=O.
What is the InChIKey of 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione?
The InChIKey is LROKMZZNZDHSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO3S2/c1-2-3(7)6-4(8)10-11-5(6)9/h2H,1H2.
What are the key properties of 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione?
4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione has a molecular weight of 189.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyl-1,2,4-dithiazolidine-3,5-dione is sourced from PubChem (CID 59815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).