3,3'-Dithiobis[N-methylpropanamide]
Basic information
- CAS
999-72-4- Standard SMILES
CNC(=O)CCSSCCC(=O)NC- InChIKey
QUHFFYTTZGTUQQ-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2S2
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.0653201
Names & identifiers
- Preferred name
- 3,3'-Dithiobis[N-methylpropanamide]
- IUPAC
- N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
- English name
- N,N'-Dimethyl-3,3'-dithiodipropionamide
- Molecular formula
- C8H16N2O2S2
- Molecular weight
- 236.35
Names & synonyms
999-72-43,3'-Dithiobis(N-methylpropanamide)propanamide, 3,3'-dithiobis[n-methyl-N,N'-Dimethyl-3,3'-dithiopropionamideUNII-F5OV03L720Propanamide, 3,3'-dithiobis(N-methyl-F5OV03L720EINECS 213-665-9DTXSID0061375N-methyl-3-[[3-(methylamino)-3-oxo-propyl]disulfanyl]propanamidePROPIONAMIDE,3,3'-DITHIOBIS(N-METHYL-3,3'-DISULFINYLBIS(N-METHYLPROPANAMIDE)
Show more names
N,N’Dimethyl-3,3’dithiopropionamide3,3'-dithiobis[N-methylpropionamide]3-[3-keto-3-(methylamino)propyl]disulfanyl-N-methyl-propionamide
3,3'-Dithiobis[N-methylpropanamide]N-METHYL-3-((3-(METHYLAMINO)-3-OXO-PROPYL)DISULFANYL)PROPANAMIDERefChem:90715DTXCID1049146213-665-9N,N'-Dimethyl-3,3'-dithiodipropionamide3,3'-disulfanediylbis(N-methylpropanamide)MFCD00172796
Database identifiers
- CAS
999-72-4- PubChem CID
- 70464
- DTXSID
DTXSID0061375- ChEMBL
CHEMBL1472585- UNII
- F5OV03L720
- EC Number
- 213-665-9
- Nikkaji
- J217.097C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 510.7 · 510.7±35.0 °C(Predicted)
- Density
- 1.179 · 1.179
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 15.6 · 15.60±0.46(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 5 OV03L720 · F5OV03L720
- EPA Substance Registry System
- 3 · Propanamide, 3,3'-dithiobis[N-methyl- (999-72-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335
- Precautionary statements
- 261 · P261-P264b-P271-P280i-P304+P340-P305+P351+P338-P312-P403+P233-P501c
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335
- Precautionary statements
- P261-P264b-P271-P280i-P304+P340-P305+P351+P338-P312-P403+P233-P501c
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanamide, 3,3'-dithiobis[N-methyl-: INACTIVE
Applications
UsesN,N’-Dimethyl-3,3’-dithiopropionamide is used in the preparation of amino-substituted isothiazole derivatives.
UsesN,N'-Dimethyl-3,3'-dithiodipropionamide is used in the preparation of amino-substituted isothiazole derivatives.
Suppliers
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Related reactions
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Compound notes
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