Completing data — usually done within a minute
Basic information
- Standard SMILES
CC(C)(C)NSc1nc2ccccc2s1- InChIKey
IUJLOAKJZQBENM-UHFFFAOYSA-N- Molecular formula
- C11H14N2S2
- Average molar mass
- 238.381 g/mol
- Monoisotopic mass
- 238.05984045
Names & identifiers
- Preferred name
- N-tert-Butyl-2-benzothiazolesulfenamide
- IUPAC
- N-[(1,3-Benzothiazol-2-yl)sulfanyl]-2-methylpropan-2-amine
- English name
- N-tert-Butyl-2-benzothiazolesulfenamide
- Molecular formula
- C11H14N2S2
- Molecular weight
- 238.37
Names & synonyms
Database identifiers
- CAS
95-31-8- PubChem CID
- 7230
- DTXSID
DTXSID7026572- ChEMBL
CHEMBL3182037- UNII
- W468IFJ99C
- EC Number
- 202-409-1
- Nikkaji
- J21.264D
Properties
Physicochemical properties
- Melting point
- 105 °C · 105°C
- Boiling point
- 344.1 · 344.1±25.0 °C(Predicted)
- Density
- 1 · 1,29 g/cm3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 165 °C · 165°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.25 · 1.25±0.70(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- 1.74 mg/L · 1.74mg/L at 20℃
- BRN
- 158370 · 158370
- 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
- InChIKey
- IUJLOAKJZQBENM-UHFFFAOYSA-N
- SMILES
- S1C2=CC=CC=C2N=C1SNC(C)(C)C
- LogP
- 3.36 at · 3.36 at 25℃
- CAS DataBase Reference
- 95 · 95-31-8(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- -2 · N-TERT-BUTYL-2-BENZOTHIAZOLESULFENAMIDE
- FDA 21 CFR
- 177.26 · 177.2600
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 468 IFJ99C · W468IFJ99C
- NIST Chemistry Reference
- 2 · 2-Benzothiazolesulfenamide, n-(1,1-dimethylethyl)-(95-31-8)
- EPA Substance Registry System
- -2 · N-tert-Butyl-2-benzothiazolesulfenamide (95-31-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H413
- Precautionary statements
- 262 · P262-P273-P280g
- Risk Statements
- 43 · 43-53
- Safety Statements
- 36 · 36-45-61-37-24
- RIDADR
- 3077 · 3077
- RTECS
- 6200000 · DL6200000
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29342000 · 29342000
- Hazardous Substances Data
- 95 · 95-31-8(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
Safety data
- tsca
- TSCA listed
- rtecs
- DL6200000
- ridadr
- 3077
- hs_code
- 29342000
- risk_code
- 43-53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36-45-61-37-24
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H317-H413
- REACH Registrations
- Active
- Precautionary statements
- P262-P273-P280g
- Hazardous Substances Data
- 95-31-8(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionN-tert-Butyl-2-benzothiazolesulfenamide (TBBS) is one of the essential kinds of sulfenamide vulcanization accelerator, have anti-incipient scorch and the large advantage of vulcanization rate fast two concurrently for natural rubber, styrene-butadiene rubber(SBR), cis-1,4-polybutadiene rubber, in polyisoprene rubber, be particularly useful for the furnace treated black sizing material that alkalescence is higher, variable color and pollution are slight, the alternative NOBS(N-morpholinyl benzothiaolesulfenamide having carinogenicity possible containing secondary amine), the NOBS of tire industry is replaced with CBS (CZ) or TBBS in l994 law-making stipulation by Germany.
UsesN-tert-Butyl-2-benzothiazolesulfenamide is used as an accelerator for natural and synthetic isoprene and butadiene rubbers.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
Linked notes
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