Dipentamethylenethiuram tetrasulfide

HCID 61049
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
120-54-7
Standard SMILES
S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1
InChIKey
VNDRMZTXEFFQDR-UHFFFAOYSA-N
Molecular formula
C12H20N2S6
Average molar mass
384.7 g/mol
Monoisotopic mass
383.99507464

Names & identifiers

Preferred name
Dipentamethylenethiuram tetrasulfide
IUPAC
(piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate
English name
Bis(pentamethylene)thiuram tetrasulfide
Molecular formula
C12H20N2S6
Molecular weight
384.69

Names & synonyms

120-54-7Dipentamethylenethiuram tetrasulfideBis(pentamethylene)thiuram tetrasulfideThiuram MTTetrone ANocceler TRANoksera TRASanceler TRASulfadsTetron ASoxinol TRABis(piperidinothiocarbonyl) tetrasulfide
Show more names
DPTTTRAtetronausafb-31tetroneaSULPHADSthiurammtUSAF 5-31soxinoltra
USAF B-31Tetrasulfide, bis(piperidinothiocarbonyl)Bis(piperidinothiocarbonyl) tetrasulphidePIPERIDINE, 1,1'-(TETRATHIODICARBONOTHIOYL)BIS-Tetrasulfide, bis(pentamethylenethiuram)-Thiuram tetrasulfide, bis(piperidinothiocarbonyl)Di-N,N'-pentamethylenethiuram tetrasulfideNSC 4823

Database identifiers

CAS
120-54-7
PubChem CID
61049
DTXSID
DTXSID0044789
UNII
YX3WH7S23F
EC Number
204-406-0
Nikkaji
J2.918A

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
172 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
20

Experimental & physicochemical properties

PolymersPlastics & Rubber -> Rubber Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 items

Dry Powder; Other Solid

White to off-white powder; [R.T. Vanderbilt MSDS]

Physicochemical properties

Melting point
118 to · 118.0 to 122.0 °C
Boiling point
510.1 · 510.1±33.0 °C(Predicted)
Density
1.4933 · 1.4933 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)
storage temp.
Sealed in dry,Room Temperature
Water Solubility
Practically insoluble in water

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 15% (24 of 160) of reports.

Warning

H317 (20.6%): 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 160 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Piperidine, 1,1'-(tetrathiodicarbonothioyl)bis-

Methanethione, 1,1'-tetrathiobis[1-(1-piperidinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanethione, 1,1'-tetrathiobis[1-(1-piperidinyl)- 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)

Piperidine, 1,1'-(tetrathiodicarbonothioyl)bis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 item

Intraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] A skin sensitizer; [Kanerva, p. 1788] Commercial product contains 0.3% white mineral oil (CAS# 8042-47-5); A respiratory tract irritant; Ingestion may cause headache, dizziness, nausea, and vomiting; May cause an intolerance for alcohol; [R.T. Vanderbilt MSDS] See Disulfiram and Thiuram mix.

Hazard Classes and CategoriesSkin Sens. 1 (20.6%)

Toxicology

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Safety data

wgk
2
tsca
TSCA listed
rtecs
TN4221000
ridadr
UN 3077 9 / PGIII
hs_code
2930.30.6000
Toxicity
mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689,

Chemistry & industry

Uses & manufacturing

UsesUsed as a rubber additive; [R.T. Vanderbilt MSDS]
U.S. Production2023: 159,997 lb
Industry UsesOther
General Manufacturing Information · 2 items

All Other Chemical Product and Preparation Manufacturing

Methanethione, 1,1'-tetrathiobis[1-(1-piperidinyl)-: ACTIVE

Applications

UsesTetrasulfanediylbis(piperidin-1-ylmethanethione) is a thiuram type accelerators used in the self-healing, reshaping, and recycling of vulcanized rubber

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北科麦迪化工有限公司18372743325

Related reactions

1 records
New reaction record

Compound notes

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