Basic information
- CAS
5503-75-3- Standard SMILES
O=C1NC(=S)SC1=Cc1ccccc1Br- InChIKey
HCQIPSCNDYWABJ-UHFFFAOYSA-N- Molecular formula
- C10H6BrNOS2
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 298.90742
Names & identifiers
- Preferred name
- Mls002667325
- IUPAC
- 5-[(2-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-[(2-bromophenyl)methylidene]-2-sulfanylidene-thiazolidin-4-one
- Molecular formula
- C10H6BrNOS2
- Molecular weight
- 300.2
Names & synonyms
5503-75-3MLS002667325DTXSID00386513RefChem:357176DTXCID503375355-(2-Bromobenzylidene)-2-thioxothiazolidin-4-oneC10H6BrNOS2HMS3079E085-[(2-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneCHEMBL17225525-(2-bromobenzylidene)-rhodanineAKOS030242428
Show more names
5-(2-bromobenzylidene)-2-thioxo-thiazolidin-4-one(Z)-5-(2-Bromobenzylidene)-2-thioxothiazolidin-4-one(5Z)-5-(2-bromobenzylidene)-2-thioxo-thiazolidin-4-one5-[(2-bromophenyl)methylene]-2-thioxo-4-thiazolidinone5-[(2-bromophenyl)methylene]-2-thioxo-thiazolidin-4-one4-Thiazolidinone, 5-[(2-bromophenyl)methylene]-2-thioxo-(5Z)-5-[(2-bromophenyl)methylene]-2-thioxo-4-thiazolidinone(5Z)-5-[(2-bromophenyl)methylene]-2-thioxo-thiazolidin-4-one5-[(2-bromophenyl)methylidene]-2-sulfanylidene-thiazolidin-4-one
SMR0015570925-[(2-bromophenyl)methylene]-2-sulfanyl-thiazol-4-one
Database identifiers
- CAS
5503-75-3- PubChem CID
- 2864576
- DTXSID
DTXSID00386513- ChEMBL
CHEMBL1722552
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 189 °C · 189 °C(Solv: ethanol (64-17-5))
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 7.33 · 7.33±0.20(Predicted)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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