Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)-
Basic information
- CAS
3064-73-1- Standard SMILES
CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C- InChIKey
QOTYLQBPNZRMNL-UHFFFAOYSA-N- Molecular formula
- C18H36N2S4
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.17613385
Names & identifiers
- Preferred name
- Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)-
- IUPAC
- bis(2-methylpropyl)carbamothioylsulfanyl N,N-bis(2-methylpropyl)carbamodithioate
- English name
- Diisobutylthiuram disulfide
- Molecular formula
- C18H36N2S4
- Molecular weight
- 408.75
Names & synonyms
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(2-methylpropyl)-tetraisobutylthiuram disulfideTetra(isobutyl)thioperoxydicarbamic acidThioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)-DTXSID7062823EINECS 221-312-5Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetrakis(2-methylpropyl)-Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetrakis(2-methylpropyl)-RefChem:897868DTXCID3038226221-312-53064-73-1
Show more names
TiBTDTIBTD（IBTD）ISOBUTYL TUADSDiisobutyl thiuram sulfideDiisobutylthiuram disulfideIsobutyl thiuram disulfide TiBTDTetraisobutyl thiuram disulphideDiisobutylThiuramDisulfide(Tibtd)TETRA-ISO-BUTYL THIURAM DISULFIDE
Disulfide, bis(diisobutylthiocarbamoyl)Isobutyl Thiuram DisulfideBis(diisobutylthiocarbamoyl) disulfidebis(2-methylpropyl)carbamothioylsulfanyl N,N-bis(2-methylpropyl)carbamodithioateCHEMBL4871643Cure-Rite(R) IBTCCB3DC6HV9SCHEMBL358578
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
- 24
- Formal charge
- 0
- Complexity
- 325
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; Large Crystals
Physicochemical properties
- Melting point
- 73.5 · 73.5-74.5 °C
- Boiling point
- 462.9 · 462.9±28.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- pka
- 0.9 · 0.90±0.50(Predicted)
- Water Solubility
- 48.8 μg/L · 48.8μg/L at 20℃
- InChI
- InChI=1S/C10H20N2S4/c1-7(2)5-12(6-8(3)4)10(14)16-15-9(11)13/h7-8H,5-6H2,1-4H3,(H2,11,13)
- InChIKey
- LONUOYOIXHJUFL-UHFFFAOYSA-N
- SMILES
- N(CC(C)C)(CC(C)C)C(SSC(N)=S)=S
- LogP
- 7.3 · 7.3
- EPA Substance Registry System
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 26.9% (7 of 26) of reports.
Warning
H302 (57.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 26 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)- 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(2-methylpropyl)- 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: Tetra(isobutyl)thioperoxydicarbamic acid (EC: 221-312-5)
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (57.7%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPolymerization promoter
Industry UsesPolymerization promoter
General Manufacturing Information
Asphalt Paving, Roofing, and Coating Materials Manufacturing
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetrakis(2-methylpropyl)-: ACTIVE
Applications
UsesIsobutyl Thiuram Disulfide is an effective curing agent for acrylonitrile-butadiene rubber (NBR) only in the presence of ZnO and stearic acid as curing activators. Also, it is derived from Diisobutylamine (D446538), which is a reagent used in organic synthesis including the preparation of bx7 inhibitors which may be useful in the treatment of certain cancers.
UsesIsobutyl Thiuram Disulfide is an effective curing agent for acrylonitrile-butadiene rubber (NBR) only in the presence of ZnO and stearic acid as curing activators.Also, it is derived from Diisobutylamine (D446538), which is a reagent used in organic synthesis including the preparation of bx7 inhibitors which may be useful in the treatment of certain cancers.
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Compound notes
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