N,N,N',N'-Tetraisopropylthiuram disulfide
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Basic information
- CAS
4136-91-8- Standard SMILES
CC(C)N(C(=S)SSC(=S)N(C(C)C)C(C)C)C(C)C- InChIKey
ZUYREEAWHZRZDX-UHFFFAOYSA-N- Molecular formula
- C14H28N2S4
- Average molar mass
- 352.7 g/mol
- Monoisotopic mass
- 352.1135336
Names & identifiers
- Preferred name
- N,N,N',N'-Tetraisopropylthiuram disulfide
- IUPAC
- di(propan-2-yl)carbamothioylsulfanyl N,N-di(propan-2-yl)carbamodithioate
- English name
- TETRAISOPROPYLTHIURAM DISULFIDE
- Molecular formula
- C14H28N2S4
- Molecular weight
- 352.65
Names & synonyms
Tetraisopropylthiuram disulfide4136-91-8Disulfide, bis(diisopropylthiocarbamoyl)V3H0EJ3KXWNSC-40802N,N,N',N'-Tetraisopropylthiuram disulfideDTXSID70194309Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetrakis(1-methylethyl)-Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(1-methylethyl)-Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetrakis(1-methylethyl)-RefChem:161055tetra-isopropylthiuram disulfide
Show more names
1,7-phenanthrolin-5-amineTETRA-ISOPROPYLTHIURAMDISULPHIDEtetraisopropylothiuram disulphidetetraisopropylthiuramdisulfide95+%Tetraisopropylthiuram disulfide,98%Bis(diisopropylthiocarbamoyl) persulfideBis(N,N-diisopropylthiocarbamoyl) perdisulfideN,N,N′,N′-Tetrakis(1-methylethyl)thioperoxydicarbonic diamide
DTXCID30116800625-528-4Diisopropylthiuram disulfideBis(diisopropylthiocarbamoyl) disulfideMFCD00009860di(propan-2-yl)carbamothioylsulfanyl N,N-di(propan-2-yl)carbamodithioateCHEMBL4760573diisopropylcarbamothioylsulfanyl N,N-diisopropylcarbamodithioate
Database identifiers
- CAS
4136-91-8- PubChem CID
- 95876
- DTXSID
DTXSID70194309- ChEMBL
CHEMBL4760573- UNII
- V3H0EJ3KXW
- EC Number
- 625-528-4
- Nikkaji
- J116.884C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 115 · 115-117 °C (lit.)
- Boiling point
- 408.5 · 408.5±28.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- solubility
- 2.5 %, · chloroform: soluble2.5%, clear, yellow
- pka
- 0.75 · 0.75±0.50(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- 1S/C14H28N2S4/c1-9(2)15(10(3)4)13(17)19-20-14(18)16(11(5)6)12(7)8/h9-12H,1-8H3
- InChIKey
- ZUYREEAWHZRZDX-UHFFFAOYSA-N
- SMILES
- CC(C)N(C(C)C)C(=S)SSC(=S)N(C(C)C)C(C)C
- FDA UNII
- 3 H0EJ3KXW · V3H0EJ3KXW
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29303000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
UsesTetraisopropylthiuram disulphide has been used:for incorporation of a thiol equivalent into heterocyclic compounds, by reaction with appropriate lithiated heterocyclein preparation of unsymmetrical sulfidesas extractant for silver (I) extraction from photographic fixing solution
UsesRubber accelerator.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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