2-[2-(1,3-Benzothiazol-2-yl)hydrazinyl]-3-chloronaphthalene-1,4-dione

HCID 239791

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Basic information

CAS: 22295-51-8
Standard SMILES: Oc1c(Cl)c(N=Nc2nc3ccccc3s2)c(O)c2ccccc12
InChIKey: CCQMWWZQVDQENP-UHFFFAOYSA-N
Molecular formula: C17H10ClN3O2S
Average molar mass: 355.8 g/mol
Monoisotopic mass: 355.0182254

Names & identifiers

Preferred name: 2-[2-(1,3-Benzothiazol-2-yl)hydrazinyl]-3-chloronaphthalene-1,4-dione
IUPAC: 2-(1,3-benzothiazol-2-yldiazenyl)-3-chloronaphthalene-1,4-diol

Names & synonyms

NSC4537922295-51-82-[2-(1,3-benzothiazol-2-yl)hydrazinyl]-3-chloronaphthalene-1,4-dioneDTXSID30418033NSC-453792-[2-(1,3-Benzothiazol-2-yl)hydrazino]-3-chloronaphthoquinone2-[2-(1,3-benzothiazol-2-yl)hydrazino]-3-chloro-naphthalene-1,4-dione2-[2-(1,3-BENZOTHIAZOL-2-YL)HYDRAZIN-1-YL]-3-CHLORONAPHTHALENE-1,4-DIONE

Database identifiers

CAS: 22295-51-8
PubChem CID: 239791
DTXSID: DTXSID30418033

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 483

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