Basic information
- CAS
32868-88-5- Standard SMILES
NC(=O)c1cc(Sc2ccc(N(CCBr)CCBr)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
SISHGZYFKJECIW-UHFFFAOYSA-N- Molecular formula
- C17H16Br2N4O5S
- Average molar mass
- 548.2 g/mol
- Monoisotopic mass
- 545.92082
Names & identifiers
- Preferred name
- Benzamide, 5-((p-(bis(2-bromoethyl)amino)phenyl)thio)-2,4-dinitro-
- IUPAC
- 5-[4-[bis(2-bromoethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide
Names & synonyms
32868-88-5BENZAMIDE, 5-((p-(BIS(2-BROMOETHYL)AMINO)PHENYL)THIO)-2,4-DINITRO-5-((p-(Bis(2-bromoethyl)amino)phenyl)thio)-2,4-dinitrobenzamideDTXSID30186523RefChem:321789DTXCID701090145-({4-[Bis(2-bromoethyl)amino]phenyl}sulfanyl)-2,4-dinitrobenzamide
Database identifiers
- CAS
32868-88-5- PubChem CID
- 36255
- DTXSID
DTXSID30186523
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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