Basic information
- CAS
19218-16-7- Standard SMILES
O=S(=O)(CCCS(=O)(=O)N1CC1)N1CC1- InChIKey
AKWZGIZOGBOFFB-UHFFFAOYSA-N- Molecular formula
- C7H14N2O4S2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.03949928
Names & identifiers
- Preferred name
- Propane, 1,3-bis(1-aziridinylsulfonyl)-
- IUPAC
- 1-[3-(aziridin-1-ylsulfonyl)propylsulfonyl]aziridine
- English name
- 1,3-Bis(ethyleniminosulphonyl)propane
- Molecular formula
- C7H14N2O4S2
- Molecular weight
- 254.33
Names & synonyms
Propane, 1,3-bis(1-aziridinylsulfonyl)-19218-16-7BRN 02444291,3-Di(ethylenesulfamoyl)propane1,3-Di(ethylenesulphamoyl)propane1,3-Bis(ethyleniminosulfonyl)propaneAziridine, 1,1'-(trimethylenedisulfonyl)bis-omega,omega'-Bis-(ethyleneiminosulphonyl)propane1-[3-(aziridin-1-ylsulfonyl)propylsulfonyl]aziridine1,3-BIS(ETHYLENIMINOSULPHONYL)PROPANE4-20-00-00038 (Beilstein Handbook Reference)SCHEMBL11685564
Show more names
Aziridine, 1,1'-[1,3-propanediylbis(sulfonyl)]bis- (9CI)
DTXSID50172781AKWZGIZOGBOFFB-UHFFFAOYSA-N1,1'-(Propane-1,3-diyldisulfonyl)bis(aziridine)
Database identifiers
- CAS
19218-16-7- PubChem CID
- 87964
- DTXSID
DTXSID50172781- Nikkaji
- J35.460K
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 72 · 72-73 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 442.1 · 442.1±55.0 °C(Predicted)
- Density
- 1.4799 · 1.4799 (rough estimate)
- refractive index
- 1.569 · 1.5690 (estimate)
- pka
- -5.33 · -5.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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