3-(2'-Phenyl-2,4'-bithiazole-4-carboxamido)propyldimethylsulfonium
Basic information
- CAS
83579-43-5- Standard SMILES
C[S+](C)CCCNC(=O)c1csc(-c2csc(-c3ccccc3)n2)n1.[I-]- InChIKey
OGSWAAQPUAALEB-UHFFFAOYSA-N- Molecular formula
- C18H20IN3OS3
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 516.98132
Overview
analog of DNA-binding portion of bleomycin A2
Names & identifiers
- Preferred name
- 3-(2'-Phenyl-2,4'-bithiazole-4-carboxamido)propyldimethylsulfonium
- IUPAC
- dimethyl-[3-[[2-(2-phenyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propyl]sulfanium iodide
Names & synonyms
Pbtcps83579-43-53-(2'-Phenyl-2,4'-bithiazole-4-carboxamido)propyldimethylsulfoniumSulfonium, dimethyl(3-(((2'-phenyl(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)-, iodideRefChem:920983-(2'-Phenyl-2,4'-bithiazole-4-carboxamido)propyldimethylsulfonium iodidedimethyl-[3-[[2-(2-phenyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propyl]sulfanium;iodide
Database identifiers
- CAS
83579-43-5- PubChem CID
- 134306
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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