- InChI
- InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
- InChI Key
- IUJLOAKJZQBENM-UHFFFAOYSA-N
- Formula
- C11H14N2S2
- SMILES
- CC(C)(C)NSc1nc2ccccc2s1
- Molecular Weight1
- 238.37
- CAS
- 95-31-8
- Other Names
-
- 2-(tert-Butylaminothio)benzothiazole
- 2-Benzothiazolesulfenamide, N-tert-butyl-
- Accel BNS
- Akrochem BBTS
- BBTS
- Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- Benzothiazolyl-2-tert-butylsulfenamide
- Butyl 2-benzothiazole sulfenamide
- Delac NS
- N-t-Butyl-2-benzothiazole-sulfenamide
- N-t-Butyl-2-benzothioazole sulfenamide
- N-t-Butyl-O-benzothiazole-2-sulfenamide
- N-tert-Butyl-2-benzothiazolesulfenamid
- N-tert-Butyl-2-benzothiazolesulfenamide
- N-tert-Butyl-2-benzothiazolesulphenamide
- N-tert-Butyl-2-benzothiazolylsulfenamide
- N-tert-Butyl-2-benzothiazylsulfenamide
- N-tert-butylbenzothiazole-2-sulphenamide
- NSC 84176
- NTBBTS
- Nocceler NS
- Pennac TBBS
- Perkacit TBBS
- S-(benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine
- Santocure NS
- Santocure TBBS
- TBBS
- Vanax TBSI
- Vanax ns
- Vulkacit NZ
- Vulkacit NZ/EG
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.692 | Crippen Calculated Property | |
| McVol | 179.590 | ml/mol | McGowan Calculated Property |
| Tboil | 579.69 | K | Relay (1.0) Calculated Property |
| Tfus | 382.45 | K | Solubility of N-tert-Butylbenzothiazole-2-sulfenamide in Several Pure and Binary Solvents |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-.
Mixtures
- Methyl Alcohol + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- Ethanol + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- Toluene + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- 2-Propanol + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- 1-Butanol + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- 2-Propanamine, 2-methyl- + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- Methyl Alcohol + Water + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- Ethanol + Water + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
- 2-Propanamine, 2-methyl- + Water + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility of N-tert-Butylbenzothiazole-2-sulfenamide in Several Pure and Binary Solvents
- McGowan Method
- NIST Webbook
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