4-Pyridinecarboxylic acid 2,2-bis((2-thioxo-3(2H)-benzothiazolyl)methyl)hydrazide
Basic information
- CAS
71085-96-6- Standard SMILES
O=C(NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21)c1ccncc1- InChIKey
FKYOAWYFVZWIKO-UHFFFAOYSA-N- Molecular formula
- C22H17N5OS4
- Average molar mass
- 495.7 g/mol
- Monoisotopic mass
- 495.03159488
Names & identifiers
- Preferred name
- 4-Pyridinecarboxylic acid 2,2-bis((2-thioxo-3(2H)-benzothiazolyl)methyl)hydrazide
- IUPAC
- N',N'-bis[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]pyridine-4-carbohydrazide
- English name
- 4-Pyridinecarboxylic acid 2,2-bis[[2-thioxobenzothiazol-3(2H)-yl]methyl] hydrazide
- Molecular formula
- C22H17N5OS4
- Molecular weight
- 495.66
Names & synonyms
71085-96-6H 15 (pharmaceutical)2GLU2PE5RYNSC 3273154-Pyridinecarboxylic acid, 2,2-bis((2-thioxo-3(2H)-benzothiazolyl)methyl)hydrazideUNII-2GLU2PE5RYNSC-327315DTXSID502213094-Pyridinecarboxylic acid 2,2-bis((2-thioxo-3(2H)-benzothiazolyl)methyl)hydrazideRefChem:198772DTXCID00143800H-15
Show more names
H1F5HIST1H1Bhistone H1aHistone H1.5Histone H1.4Rabbit Anti-Histone H1.4 antibodyANTI-HIST1H1B (N-TERM) antibody produced in rabbitAnti-Histone H1, C-Terminal antibody produced in rabbitAnti-Histone H1, N-Terminal antibody produced in rabbit
NSC327315H 15n',n'-bis[(2-thioxo-1,3-benzothiazol-3(2h)-yl)methyl]isonicotinohydrazideDS-002143N',N'-Bis[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]pyridine-4-carbohydrazideN',N'-bis[(2-thioxo-1,3-benzothiazol-3-yl)methyl]pyridine-4-carbohydrazideN,N-BIS[(2-SULFANYLIDENEBENZOTHIAZOL-3-YL)METHYL]PYRIDINE-4-CARBOHYDRAZIDE
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- Melting point
- 229 · 229-231 °C
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 9.54 · 9.54±0.46(Predicted)
- FDA UNII
- 2 GLU2PE5RY · 2GLU2PE5RY
- Comptox DTXSID
- 50221309 · DTXSID50221309
- HS Code
- 2934200090 · 2934200090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934200090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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