3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one

C6H7NOS2 — CID 23558212

IUPAC3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one
SMILESC=C1C(=O)SC(=S)N1CC
InChIInChI=1S/C6H7NOS2/c1-3-7-4(2)5(8)10-6(7)9/h2-3H2,1H3
InChIKeyUGEPHHOUVFMXRN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.38
Rot. Bonds1

About 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one

3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one (PubChem CID 23558212) has the molecular formula C6H7NOS2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one
PubChem CID23558212
Molecular FormulaC6H7NOS2
Molecular Weight173.26 g/mol
Exact Mass173.00
IUPAC Name3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one
SMILESC=C1C(=O)SC(=S)N1CC
InChIInChI=1S/C6H7NOS2/c1-3-7-4(2)5(8)10-6(7)9/h2-3H2,1H3
InChIKeyUGEPHHOUVFMXRN-UHFFFAOYSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one?
The IUPAC name of 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one (CID 23558212) is 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one.
What is the SMILES notation for 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one?
The canonical SMILES for 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one is C=C1C(=O)SC(=S)N1CC.
What is the InChIKey of 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one?
The InChIKey is UGEPHHOUVFMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS2/c1-3-7-4(2)5(8)10-6(7)9/h2-3H2,1H3.
What are the key properties of 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one?
3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one has a molecular weight of 173.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylidene-2-sulfanylidene-1,3-thiazolidin-5-one is sourced from PubChem (CID 23558212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).