1,3-Benzothiazol-2-ylsulfanyl(phenyl)mercury

HCID 406992

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Basic information

CAS: 4343-77-5
Standard SMILES: c1cc[c]([Hg][S]c2nc3ccccc3s2)cc1
InChIKey: NMTZEXDINZXHAT-UHFFFAOYSA-M
Molecular formula: C13H9HgNS2
Average molar mass: 443.9 g/mol
Monoisotopic mass: 444.988285

Names & identifiers

Preferred name: 1,3-Benzothiazol-2-ylsulfanyl(phenyl)mercury
IUPAC: 1,3-benzothiazol-2-ylsulfanyl(phenyl)mercury

Names & synonyms

4343-77-5NSC4841,3-benzothiazol-2-ylsulfanyl(phenyl)mercuryDTXSID30328143NSC-484(2-BENZOTHIAZOLYLTHIO)PHENYLMERCURY(1,3-Benzothiazole-2-thiolato-kappaS~2~)phenylmercury

Database identifiers

CAS: 4343-77-5
PubChem CID: 406992
DTXSID: DTXSID30328143

Properties

Computed structural properties

Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 246

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