Benzamide, 5-((p-(bis(2-iodoethyl)amino)phenyl)thio)-2,4-dinitro-

HCID 36259

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Basic information

CAS: 32869-04-8
Standard SMILES: NC(=O)c1cc(Sc2ccc(N(CCI)CCI)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey: LZPAZVIVGHQWEV-UHFFFAOYSA-N
Molecular formula: C17H16I2N4O5S
Average molar mass: 642.2 g/mol
Monoisotopic mass: 641.89309

Names & identifiers

Preferred name: Benzamide, 5-((p-(bis(2-iodoethyl)amino)phenyl)thio)-2,4-dinitro-
IUPAC: 5-[4-[bis(2-iodoethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide

Names & synonyms

32869-04-8BENZAMIDE, 5-((p-(BIS(2-IODOETHYL)AMINO)PHENYL)THIO)-2,4-DINITRO-5-((p-(Bis(2-iodoethyl)amino)phenyl)thio)-2,4-dinitrobenzamideDTXSID70186527RefChem:321792DTXCID101090185-({4-[Bis(2-iodoethyl)amino]phenyl}sulfanyl)-2,4-dinitrobenzamide

Database identifiers

CAS: 32869-04-8
PubChem CID: 36259
DTXSID: DTXSID70186527

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 163 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 577

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