5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one

C10H9NOS2 — CID 15643297

IUPAC5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1Cc1ccccc1
InChIInChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKeyHEFVAMUJRPNDFW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.75
Rot. Bonds2

About 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 15643297) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID15643297
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1Cc1ccccc1
InChIInChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKeyHEFVAMUJRPNDFW-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
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 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 15643297) is 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HEFVAMUJRPNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13).
What are the key properties of 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 15643297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).