3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one

HCID 211635

Notes Reactions

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Basic information

CAS: 23509-48-0
Standard SMILES: O=C1C(=Cc2ccccc2)SC(=S)N1Cc1ccccc1
InChIKey: ZFDOUJFPZLIHAH-UHFFFAOYSA-N
Molecular formula: C17H13NOS2
Average molar mass: 311.4 g/mol
Monoisotopic mass: 311.04385604

Names & identifiers

Preferred name: 3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC: 3-benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one

Names & synonyms

3-benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-oneCBDivE_015531SCHEMBL2080496ZFDOUJFPZLIHAH-UHFFFAOYSA-NDTXSID6011771573-benzyl-5-benzylidene-2-thioxothiazolidin-4-one3-(Phenylmethyl)-5-(phenylmethylene)-2-thioxo-4-thiazolidinone

Database identifiers

CAS: 23509-48-0
PubChem CID: 211635
DTXSID: DTXSID601177157

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 77.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 434

Related reactions

2 records

New reaction record

HRID 600831As productuspto-grants-2011_03

HRID 1559898As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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