Basic information
- CAS
95-33-0- Standard SMILES
c1ccc2sc(SNC3CCCCC3)nc2c1- InChIKey
DEQZTKGFXNUBJL-UHFFFAOYSA-N- Molecular formula
- C13H16N2S2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.07549087
Overview
Thiohexam is a rubber cure accelerator. It is also a known allergen and dermatological sensitizer. Sensitivity to Thiohexam may be identified with a clinical patch test.
Names & identifiers
- Preferred name
- Accelerator CZ
- IUPAC
- N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
- English name
- N-Cyclohexyl-2-benzothiazolesulfenamide
- Molecular formula
- C13H16N2S2
- Molecular weight
- 264.41
Names & synonyms
95-33-0ThiohexamVulkacit CZSantocureSulfenaxSulfenamide TsAccelerator CZCuraxDuraxSantocure PowderSulfenax TsBVulkacite CZ
Show more names
CBSC13H16N2S2Accelerator CBSn-cyclohexylbenzothiazole-2-sulfenamideN-Cyclohexyl-2-benzothiazolylsulfenamide, SANTOCURE CBSHIP4
Vulkacit cz/cVulkacit cz/kSulfenax CBSantocure PelletsVulcafor CBSConac AConac SDelac S
Database identifiers
- CAS
95-33-0- PubChem CID
- 7232
- DTXSID
DTXSID5020360- ChEMBL
CHEMBL1591074- UNII
- UCA53G94EV
- EC Number
- 202-411-2
- Nikkaji
- J3.562I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Rubber Additives
SpringerMaterials PropertiesDiamagnetic susceptibility
Density1.27
Color/FormCREAM-COLORED POWDER
SolubilityINSOL IN WATER; SOL IN BENZENE
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point93-100 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Wet Solid; Other Solid; Dry Powder; Large Crystals
Cream-colored solid; [HSDB] Off-white powder or white to off-white granules; [MSDSonline]
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 2-Benzothiazolesulfenamide, N-cyclohexyl-
2-Benzothiazolesulfenamide, N-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolesulfenamide, N-cyclohexyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N-cyclohexylbenzothiazole-2-sulfenamide (EC: 202-411-2)
Thiohexam: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Benzothiazolesulfenamide, N-cyclohexyl-: Human health tier I assessment
Hazards Summary
May cause skin sensitization; [eChemPortal: ESIS] An irritant; May cause skin and respiratory sensitization after prolonged contact; [MSDSonline] Sensitization has been reported in metal workers, homemakers, health services, laboratories, and building industries; [Kanerva, p. 1775] Danger of skin sensitization; [MAK] See Mercapto mix.
Special ReportsScansetti G; Ergonomics and Health in Modern Offices. Grandjean E (ed), Taylor & Francis (1984). Toxic agents emitted from office machines and materials.
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
UCA53G94EV
N-CYCLOHEXYL-2-BENZOTHIAZOSULFENAMIDE
Established Pharmacologic Class [EPC] - Standardized Chemical Allergen
Physiologic Effects [PE] - Increased Histamine Release
Physiologic Effects [PE] - Cell-mediated Immunity
Chemical Structure [CS] - Allergens
Uses & manufacturing
Uses
Used as accelerator for rubber vulcanization; [HSDB]
Metal Machining [Category: Heat or Machine]
ACCELERATOR FOR RUBBER VULCANIZATION
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) 8.41X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
2023: 10,000,000 - <25,000,000 lb
(1972) 4.00X10+9 GRAMS
(1975) 1.15X10+9 GRAMS
Consumption PatternsESSENTIALLY 100% AS RUBBER ACCELERATOR
Consumer UsesPolymerization promoter
Industry UsesCatalyst
Methods of ManufacturingREACTION OF 2-BENZOTHIAZOLESULFENYL CHLORIDE WITH CYCLOHEXYLAMINE
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2-Benzothiazolesulfenamide, N-cyclohexyl-: ACTIVE
Related reactions
2 records
Compound notes
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