(2,9-Dimethyl-1,10-phenanthroline)(thiophenolato)copper(I)
Basic information
- CAS
130808-14-9- Standard SMILES
Cc1ccc2ccc3ccc(C)nc3c2n1.[Cu+].[S-]c1ccccc1- InChIKey
JYJJHLVBPPUMLN-UHFFFAOYSA-M- Molecular formula
- C20H17CuN2S
- Average molar mass
- 381 g/mol
- Monoisotopic mass
- 380.040842
Overview
structure given in first source
Names & identifiers
- Preferred name
- (2,9-Dimethyl-1,10-phenanthroline)(thiophenolato)copper(I)
- IUPAC
- benzenethiolate;copper(1+);2,9-dimethyl-1,10-phenanthroline
- English name
- (2,9-dimethyl-1,10-phenanthroline)(thiophenolato)copper(I)
- Molecular formula
- C20H17CuN2S
- Molecular weight
- 380.97338
Names & synonyms
(2,9-Dimethyl-1,10-phenanthroline)(thiophenolato)copper(I)130808-14-9DTXSID40156752RefChem:68535DTXCID2079243DPTCCopper, (benzenethiolato)(2,9-dimethyl-1,10-phenanthroline-N1,N10)-SCHEMBL29400791benzenethiolate;copper(1+);2,9-dimethyl-1,10-phenanthrolineCopper(1+) benzenethiolate--2,9-dimethyl-1,10-phenanthroline (1/1/1)
Database identifiers
- CAS
130808-14-9- PubChem CID
- 3083160
- DTXSID
DTXSID40156752
Properties
Computed structural properties
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 273
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Related reactions
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Compound notes
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