Basic information
- CAS
4979-32-2- Standard SMILES
c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1- InChIKey
CMAUJSNXENPPOF-UHFFFAOYSA-N- Molecular formula
- C19H26N2S2
- Average molar mass
- 346.6 g/mol
- Monoisotopic mass
- 346.15374118
Overview
structure in first source
Names & identifiers
- Preferred name
- N,N-dicyclohexyl-2-benzothiazolesulfenamide
- IUPAC
- N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine
- English name
- N,N-Dicyclohexyl-2-benzothiazolsulfene amide
- Molecular formula
- C19H26N2S2
- Molecular weight
- 346.55
Names & synonyms
4979-32-2N,N-Dicyclohexyl-2-benzothiazolesulfenamide2-BENZOTHIAZOLESULFENAMIDE, N,N-DICYCLOHEXYL-DTXSID3027584N,N-DCBS compound5OBS6299M8DTXCID707584RefChem:161146225-625-8S-(Benzo[d]thiazol-2-yl)-N,N-dicyclohexylthiohydroxylamineN,N-Dicyclohexyl-2-benzothiazolsulfene amideAccelerator DZ
Show more names
DCBSm181DZ(DCBS)soxinoldzmeramiddchrhodifax30vulkacitdzmeramid dchmsulfenamiddcAcceleratorDZ
Soxinol DZSulfenamid DCVulkacit DZMeramid DCHN-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamineMFCD00236063Rhodifax 30S-(Benzo[d]thiazol-2-yl)-N,N-dicyclohexyl-thiohydroxylamine
Database identifiers
- CAS
4979-32-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Physical DescriptionLarge Crystals; Dry Powder
Collision Cross Section193.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3027584]
Physicochemical properties
- Melting point
- 104 ℃ · 104℃
- Boiling point
- 230 °C · 230°C (rough estimate)
- Density
- 1.2 · 1.20
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetone (Slightly), Acetonitrile (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 0.43 · 0.43±0.20(Predicted)
- color
- Pale Yellow to Light Yellow
- Water Solubility
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
This chemical does not meet GHS hazard criteria for 2.4% (4 of 165) of reports.
Warning
H317 (72.7%): 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)
Aggregated GHS information provided per 165 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 2-Benzothiazolesulfenamide, N,N-dicyclohexyl-
2-Benzothiazolesulfenamide, N,N-dicyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolesulfenamide, N,N-dicyclohexyl- 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,N-dicyclohexylbenzothiazole-2-sulphenamide (EC: 225-625-8)
2-Benzothiazolesulfenamide, N,N-dicyclohexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2-Benzothiazolesulfenamide, N,N-dicyclohexyl-: Human health tier I assessment
Hazard Classes and Categories
Skin Sens. 1B (72.7%)
Hazardous to the aquatic environment (Long-term) - Category 4
Specific target organ toxicity - Single exposure - Category 2 (central nervous system)
Reproductive toxicity - Category 2
Safety data
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
General Manufacturing Information
Rubber Product Manufacturing
2-Benzothiazolesulfenamide, N,N-dicyclohexyl-: ACTIVE
Applications
UsesN,N-Dicyclohexyl-2-benzothiazolesulfenamide is a compound with reproductive and developmental toxicity that can affect body weight gain, reproductive organ weight, and multiple reproductive and developmental indicators in rats.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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