3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C9H5Cl2NOS2 — CID 17384675

IUPAC3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H5Cl2NOS2/c10-5-1-6(11)3-7(2-5)12-8(13)4-15-9(12)14/h1-3H,4H2
InChIKeyFFNJJWDEKZZMLE-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.36
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 17384675) has the molecular formula C9H5Cl2NOS2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID17384675
Molecular FormulaC9H5Cl2NOS2
Molecular Weight278.19 g/mol
Exact Mass276.92
IUPAC Name3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H5Cl2NOS2/c10-5-1-6(11)3-7(2-5)12-8(13)4-15-9(12)14/h1-3H,4H2
InChIKeyFFNJJWDEKZZMLE-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 17384675) is 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FFNJJWDEKZZMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NOS2/c10-5-1-6(11)3-7(2-5)12-8(13)4-15-9(12)14/h1-3H,4H2.
What are the key properties of 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 278.19 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 17384675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).