Basic information
- CAS
17560-57-5- Standard SMILES
S=C(NCCN1CCOCC1)C(=S)NCCN1CCOCC1- InChIKey
FJJTVKMLDAFBFD-UHFFFAOYSA-N- Molecular formula
- C14H26N4O2S2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.14971843
Names & identifiers
- Preferred name
- N,N'-Bis-(2-morpholinoethyl)-dithiooxamide
- IUPAC
- N,N'-bis(2-morpholin-4-ylethyl)ethanedithioamide
- English name
- N,N'-Bis-(2-morpholinoethyl)-dithiooxamide
- Molecular formula
- C14H26N4O2S2
- Molecular weight
- 346.51
Names & synonyms
N,N'-BIS-(2-MORPHOLINOETHYL)-DITHIOOXAMIDERefChem:821847653-659-717560-57-5MLS002667328N1,N2-Bis(2-morpholinoethyl)ethanebis(thioamide)NSC50078CHEMBL1719429DTXSID30938680FJJTVKMLDAFBFD-UHFFFAOYSA-NHMS3079O16NSC-50078
Show more names
Ethanedithioamide, N1,N2-bis[2-(4-morpholinyl)ethyl]-
AKOS024333550SMR001557095Dithiooxalamide, N,N'-bis(2-morpholin-4-ylethyl)-N~1~,N~2~-Bis[2-(morpholin-4-yl)ethyl]ethanebis(thioamide)
Database identifiers
- CAS
17560-57-5- PubChem CID
- 5116897
- DTXSID
DTXSID30938680- ChEMBL
CHEMBL1719429- EC Number
- 653-659-7
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 484.8 · 484.8±55.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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