N-[2-[2-(1,3-benzothiazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-amine
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Basic information
- Standard SMILES
c1ccc2sc(NCCSSCCNc3nc4ccccc4s3)nc2c1- InChIKey
BFRPCSUPHDDASD-UHFFFAOYSA-N- Molecular formula
- C18H18N4S4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.04143129
Names & identifiers
- Preferred name
- N-[2-[2-(1,3-benzothiazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-amine
- IUPAC
- N-[2-[2-(1,3-benzothiazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-amine
Names & synonyms
NSC273896SCHEMBL8626317NSC-273896N-[2-[2-(1,3-benzothiazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-amineDisulfide, bis[N(benzothiazol-2-yl)-2-aminoethyl]N-(1,3-Benzothiazol-2-yl)-N-(2-((2-(1,3-benzothiazol-2-ylamino)ethyl)dithio)ethyl)amineN-(2-((2-(1,3-Benzothiazol-2-ylamino)ethyl)dithio)ethyl)-1,3-benzothiazol-2-amine
Database identifiers
- PubChem CID
- 321608
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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