Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole
Basic information
- CAS
5406-97-3- Standard SMILES
CCCCCCCCCCCC[n+]1ccccc1.[S-]c1nc2cc(Cl)ccc2s1- InChIKey
NPUUGQIQOUWACG-UHFFFAOYSA-M- Molecular formula
- C24H33ClN2S2
- Average molar mass
- 449.1 g/mol
- Monoisotopic mass
- 448.1773691
Names & identifiers
- Preferred name
- Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole
- IUPAC
- 5-chloro-1,3-benzothiazole-2-thiolate;1-dodecylpyridin-1-ium
- English name
- 5-Chloro-2-mercaptobenzothiazole, lauryl pyridinium salt
- Molecular formula
- C24H33ClN2S2
- Molecular weight
- 449.11522
Names & synonyms
Vancide 265406-97-3Lauryl pyridinium 5-chloro-2-mercaptobenzothiazoleVancide 26 ECLauryl pyridinium salt of 5-chloro-2-mercaptobenzothiazoleLaurylpyridinium 5-chloro-2-mercaptobenzothiazoleNSC-53375-Chloro-2-mercaptobenzothiazole 1-laurylpyridinium salt5-Chloro-2-mercaptobenzothiazole, lauryl pyridinium saltI79832L455N-Laurylpyridinium 5-chlorobenzothiazole-2-thiolate5-chloro-1,3-benzothiazole-2-thiolate;1-dodecylpyridin-1-ium
Show more names
Vancide-26
Caswell No. 522orb1694942SCHEMBL31237909DTXSID50896854NSC5337UNII-I79832L455NSC 53371-dodecylpiperidine, 5-chloro-2-thioxo-2,4-dihydrobenzo[d]thiazol-4-ide salt
Database identifiers
- CAS
5406-97-3- PubChem CID
- 79411
- DTXSID
DTXSID50896854- UNII
- I79832L455
Properties
Computed structural properties
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- 5 · LAURYL PYRIDINIUM 5-CHLORO-2-MERCAPTOBENZOTHIAZOLE
- FDA 21 CFR
- 175.105 · 175.105
- FDA UNII
- 79832 L455 · I79832L455
- EPA Substance Registry System
- 5 · 5-Chloro-2-mercaptobenzothiazole 1-laurylpyridinium salt (5406-97-3)
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Compound notes
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