Basic information
- CAS
10591-85-2- Standard SMILES
S=C(SSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
WITDFSFZHZYQHB-UHFFFAOYSA-N- Molecular formula
- C30H28N2S4
- Average molar mass
- 544.8 g/mol
- Monoisotopic mass
- 544.1135336
Overview
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Names & identifiers
- Preferred name
- Tetrabenzylthiuram disulfide
- IUPAC
- dibenzylcarbamothioylsulfanyl N,N-dibenzylcarbamodithioate
- English name
- Tetrabenzylthiuramdisulfide
- Molecular formula
- C30H28N2S4
- Molecular weight
- 544.82
Names & synonyms
Tetrabenzylthiuram disulfidetetrakis(phenylmethyl)thioperoxydi(carbothioamide)DTXSID20872988EC 404-310-0Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(phenylmethyl)-Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetrakis(phenylmethyl)-Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(phenylmethyl)-Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetrakis(phenylmethyl)-RefChem:896713DTXCID40820502404-310-0600-699-8
Show more names
TETRABENZYL THIURAM DISULFIDETBzTD-70BENZYL TUADSHiDispersion TBzTD-70tetrakis thioperoxydiDisulfiram Impurity 16rubber accelerator tbztdTetrabenzylthiuramdisulfidTetraphenyl Thiuram DisulfideTetrabenzylThiuramDisulfide(Tbztd)
10591-85-2Tetrabenzylthiuramdisulfidedibenzylcarbamothioylsulfanyl N,N-dibenzylcarbamodithioateBenzyl tuexMFCD09842304Disulfide, bis(dibenzylthiocarbamoyl)NSC608475SCHEMBL80045
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWet Solid; Dry Powder
Physicochemical properties
- Melting point
- 124 °C · 124°C
- Boiling point
- 687 · 687.0±65.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- vapor pressure
- 0.85 · 0.85-0.86Pa at 25℃
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- 190 in · 190 in mg/100g standard fat at 20 ℃
- pka
- 0.79 · 0.79±0.50(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- 10 μg/L · 10μg/L at 21℃
- InChI
- InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
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
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 2.8% (2 of 72) of reports.
Hazard information
Regulatory Information
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(phenylmethyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Tetrakis(phenylmethyl)thioperoxydi(carbothioamide) (EC: 404-310-0)
Tetrabenzylthiuram disulfide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Aquatic Chronic 4 (97.2%)
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
Safety data
- tsca
- TSCA listed
- risk_code
- 53
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <75,000 lb
Consumer UsesFiller
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Rubber Product Manufacturing
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(phenylmethyl)-: ACTIVE
Applications
UsesAccelerator for NR, SBR and NBR
UsesTetrabenzylthiuram Disulfide is one of the many lubricating oil for fork truck bearing; Also, it is derived from Dibenzylamine (D417505), which is a chemical contaminant in L-(+)-β-hydroxybutyrate, exhibits direct anticonvulsant actions in vivo.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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