Basic information
- CAS
962-02-7- Standard SMILES
CN1C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)SC1=S- InChIKey
HHLAJTWCKSBJFA-UHFFFAOYSA-N- Molecular formula
- C10H8N4O3S2
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.00378248
Names & identifiers
- Preferred name
- Nitrodan
- IUPAC
- 3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- Nitrodan
- Molecular formula
- C10H8N4O3S2
- Molecular weight
- 296.33
Names & synonyms
NITRODANNidanthel962-02-7EverfreeCTR 6110NSC-44646NSC-678172STG09LA8F3-Methyl-5-(4-nitrophenylazo)rhodanine3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-oneMLS002608645CTR-6110
Show more names
3-Methyl-5-p-nitrophenylazorhodanin3-Methyl-5-[(4-nitrophenyl)azo]-2-thioxothiazolidin-4-one3-methyl-5-(4-nitrophenyl)diazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Nitrodan (USAN)NSC44646NSC678173-Methyl-5-(4'-nitrophenylazo)rhodanine3-Methyl-5-((p-nitrophenyl)azo)rhodanine3-Methyl-5-[(p-nitrophenyl)azo]rhodanineNITRODAN [USAN]Rhodanine, 3-methyl-5-[(p-nitrophenyl)azo]-
Database identifiers
- CAS
962-02-7- PubChem CID
- 13752
- DTXSID
DTXSID70862490- ChEMBL
CHEMBL1707960、CHEMBL2106768- UNII
- 2STG09LA8F
- Nikkaji
- J7.195A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 267 · 267-268°
- Boiling point
- 457.464 · 457.464±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.63 · 1.630±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.24 · -3.240±0.40(predicted)
- FDA UNII
- 2 STG09LA8F · 2STG09LA8F
Chemistry & industry
Applications
UsesAnthelmintic.
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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