2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C10H6F3NOS2 — CID 278104

IUPAC2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESC1C(=O)N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F
InChIInChI=1S/C10H6F3NOS2/c11-10(12,13)6-2-1-3-7(4-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChIKeyMRDJXDJVVCNDND-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.30
Rot. Bonds1

About 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 278104) has the molecular formula C10H6F3NOS2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID278104
Molecular FormulaC10H6F3NOS2
Molecular Weight277.30 g/mol
Exact Mass276.98
IUPAC Name2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESC1C(=O)N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F
InChIInChI=1S/C10H6F3NOS2/c11-10(12,13)6-2-1-3-7(4-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChIKeyMRDJXDJVVCNDND-UHFFFAOYSA-N
XLogP3.30
TPSA77.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity345

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 278104) is 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is C1C(=O)N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F.
What is the InChIKey of 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is MRDJXDJVVCNDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS2/c11-10(12,13)6-2-1-3-7(4-6)14-8(15)5-17-9(14)16/h1-4H,5H2.
What are the key properties of 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 277.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 278104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).