Basic information
- CAS
729-46-4- Standard SMILES
S=C(SSC(=S)N1CCOCC1)N1CCOCC1- InChIKey
KKVYOWPPMNSLCP-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2S4
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.00946245
Overview
selective covalent inhibitor of PDK1
Names & identifiers
- Preferred name
- Bis(morpholinothiocarbonyl) disulfide
- IUPAC
- morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
- English name
- 4,4'-(dithiodicarbonothioyl)dimorpholine
- Molecular formula
- C10H16N2O2S4
- Molecular weight
- 324.51
Names & synonyms
729-46-4Bis(morpholinothiocarbonyl) disulfideDimorpholinethiuram disulfideJX064-Morpholinethiocarbonyl disulfideBis(4-morpholinothiocarbonyl) disulfideJX-06Morpholine, 4,4'-(dithiodicarbonothioyl)bis-DISULFIDE, BIS(MORPHOLINOTHIOCARBONYL)4,4'-(Dithiodicarbonothioyl)dimorpholineThiuram disulfide, bis(oxydi-2,1-ethanediyl)-Dimorpholinethiuram disulphide
Show more names
JX 06JX06 ，S0983JX06, 10 mM in DMSODI(4-MORPHOLINYL)DITHIOPEROXYANHYDRIDEBis(morpholinocarbonothioyl) persulfideMorpholine, 4,4-(dithiodicarbonothioyl)bis-Apoptosis,JX06,JX-06,Inhibitor,PDH kinase,inhibit,Pyruvate dehydrogenase kinase,JX 06,PDHK
NSC-402538DTXSID405247172G763P0UOMethanethione, 1,1'-dithiobis(1-(4-morpholinyl)-RefChem:134409di-morpholinethiuram disulfideDTXCID1031044bis(4-morpholinyl thiocarbonyl)-disulfide
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 466.3 · 466.3±55.0 °C(Predicted)
- Density
- 1.4302 · 1.4302 (rough estimate)
- refractive index
- 1.565 · 1.5650 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- A solid
- pka
- 0.58 · 0.58±0.20(Predicted)
- color
- White to off-white
- FDA UNII
- 72 G763P0UO · 72G763P0UO
- EPA Substance Registry System
- 4 · Morpholine, 4,4'-(dithiodicarbonothioyl)bis- (729-46-4)
- UNSPSC Code
- 12352200 · 12352200
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationMorpholine, 4,4'-(dithiodicarbonothioyl)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H302+H332-H315-H319-H317-H373-H400-H410
- Precautionary statements
- P260-P264-P270-P271-P272-P273-P280-P301+P312-P330-P302+P352-P304+P340-P305+P351+P338-P314-P362+P364-P333+P313-P321-P337+P313-P363-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMorpholine, 4,4'-(dithiodicarbonothioyl)bis-: ACTIVE
Applications
UsesJX 06 is a covalent inhibitor of Potent Covalent Pyruvate Dehydrogenase Kinase (PDK).
Suppliers35 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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