CAS 20231-01-0 1,1'-(Dithiodicarbonothioyl)bis(4-methylpiperazine) (HCID 30054)

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Basic information

CAS: 20231-01-0
Standard SMILES: CN1CCN(C(=S)SSC(=S)N2CCN(C)CC2)CC1
InChIKey: OOBDBFPYJXJEHC-UHFFFAOYSA-N
Molecular formula: C12H22N4S4
Average molar mass: 350.6 g/mol
Monoisotopic mass: 350.0727307

Names & identifiers

Preferred name: 1,1'-(Dithiodicarbonothioyl)bis(4-methylpiperazine)
IUPAC: (4-methylpiperazine-1-carbothioyl)sulfanyl 4-methylpiperazine-1-carbodithioate
English name: Bis(4-methyl-1-piperazinylthiocarbonyl) disulfide
Molecular formula: C12H22N4S4
Molecular weight: 350.59

Names & synonyms

20231-01-0Ewp 8151,1'-(Dithiodicarbonothioyl)bis[4-methylpiperazine]DTXSID90174082EWP-8151,1'-(Dithiodicarbonothioyl)bis(4-methylpiperazine)RefChem:906546DTXCID9096573RI171BIS(4-METHYL-1-PIPERAZINYLTHIOCARBONYL) DISULFIDE(4-methylpiperazine-1-carbothioyl)sulfanyl 4-methylpiperazine-1-carbodithioateCHEMBL571699

Show more names

4-METHYLPIPERAZINO-THIURAMDISULPHIDEdisulfide,bis((4-methyl-1-piperazinyl)thiocarbonyl)Bis(4-methyl-1-piperazinylthiocarbonyl) disulfide,98%Piperazine, 1,1'-(dithiodicarbonothioyl)bis[4-methyl-

4-Methylpiperazine-1-carbothioic dithioperoxyanhydride4-Methylpiperazino-thiuramdisulfideBRN 0893745Bis((4-methyl-1-piperazinyl)thiocarbonyl)disulfide5-23-01-00114 (Beilstein Handbook Reference)orb1688824SCHEMBL2235785Piperazine, 1,1'-(dithiodicarbonothioyl)bis(4-methyl-

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 128 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 315

Physicochemical properties

Melting point: 142 · 142-143 °C
Boiling point: 450.5 · 450.5±55.0 °C(Predicted)
Density: 1.339 · 1.339±0.06 g/cm3(Predicted)
pka: 6.63 · 6.63±0.42(Predicted)
form: Solid
color: White to off-white
InChI: 1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3
InChIKey: OOBDBFPYJXJEHC-UHFFFAOYSA-N
SMILES: CN1CCN(C(SSC(N2CCN(C)CC2)=S)=S)CC1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Safety Statements: 24 · 24/25
WGK Germany: 3 · WGK 3
HS Code: 29335995 · 29335995
Storage Class: 11 · 11 - Combustible Solids
Toxicity: 50 oral · LD50 oral in rat: > 5gm/kg

Safety & regulation

Safety data

wgk: WGK 3
hs_code: 29335995
Toxicity: LD50 oral in rat: > 5gm/kg
safety_code: 24/25
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications

UsesEWP 815 is a disulfiram analogue, is a potent inhibitor of Ins(1,4)P2 phosphatase and Ins(1,4,5)P3 5-phosphatase. EWP 815 also inhibits enzyme dopamine β-hydroxylase activity[1][2].