Basic information
- CAS
94-37-1- Standard SMILES
S=C(SSC(=S)N1CCCCC1)N1CCCCC1- InChIKey
KNBRWWCHBRQLNY-UHFFFAOYSA-N- Molecular formula
- C12H20N2S4
- Average molar mass
- 320.6 g/mol
- Monoisotopic mass
- 320.05093334
Overview
Dipentamethylenethiuram disulfide is a Standardized Chemical Allergen. The physiologic effect of dipentamethylenethiuram disulfide is by means of Increased Histamine Release and Cell-mediated Immunity.
Names & identifiers
- Preferred name
- Dipentamethylenethiuram disulfide
- IUPAC
- piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate
- English name
- Dicyclopentamethylenethiuram disulfide
- Molecular formula
- C12H20N2S4
- Molecular weight
- 320.56
Names & synonyms
94-37-1Dicyclopentamethylenethiuram disulfideDipentamethylenethiuram disulfideBis(pentamethylene)thiuram disulfide1-Piperidinethiocarbonyl disulfideBis(1-piperidylthiocarbonyl) disulfidepiperidine-1-carbothioylsulfanyl piperidine-1-carbodithioateBis(piperidinothiocarbonyl) disulfideBis(1-piperidylthiocarbonyl)disulfideBis(piperidinothiocarbonyl) disulphideDTXSID40487271,1'-(Dithiodicarbonothioyl)bispiperidine
Show more names
Robac PTDNSC 527055NSC 527035Bis(piperidinothiocarbonyl)dipentamethylenethiuramdisulfide1-piperidinethiocarbonyldisulfideDIPENTAMETHYLENETHIURAMDISULPHIDEDI-N-PENTAMETHYLENETHIURAM DISULFIDEN,N'-Pentamethylenethiuram disulfide
Bis(piperidinothiocarbonyl)disulfideDISULFIDE, BIS(PIPERIDINOTHIOCARBONYL)NSC-527035CR113982E5DTXCID1028653RefChem:134610202-328-1Piperidine-1-carbothioic dithioperoxyanhydride
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
PolymersPlastics & Rubber -> Rubber Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionCream-colored solid; [MSDSonline]
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 436.6 · 436.6±28.0 °C(Predicted)
- Density
- 1.355 · 1.3550 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 0.89 · 0.89±0.20(Predicted)
- color
- Pale Yellow
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
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazards SummaryDanger of skin sensitization; [MAK] Possible skin sensitizer; Oral LD50 (rat) =2870 mg/kg; [MSDSonline] See Thiuram mix.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye irritation - category 2
STOT SE 3
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- risk_code
- 43-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xi
- safety_code
- 37-26-24
- Hazard statements
- H302-H319-H373-H335-H336-H411
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
CR113982E5
DIPENTAMETHYLENETHIURAM DISULFIDE
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 an accelerator in rubber manufacturing; [Marks]
Working with Glues and Adhesives [Category: Other]
Applications
DescriptionA rubber chemical contained in "thiuram mix". The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.
UsesDipentamethylenethiuram disulfide is an accelerator and vulcanizing agent for latex (gloves) and butyl rubber.
UsesDicyclopentamethylenethiuram Disulfide is a known rubber accelerator used during vulcanizing.
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海泰锐尔生物科技有限公司021-54822871 13817743194
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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