| CAS Number | 902779-59-3 |
| Catalog Number | AG00GX4F(AGN-PC-0WAHZY) |
| Chemical Name | DICHLORO(2Z)-2-[(4-OXO-4H-1-BENZOPYRAN-3-YL)METHYLENE]HYDRAZINECARBOTHIOAMIDE COPPER COMPLEX |
| IUPAC Name | dichlorocopper;[(E)-(4-oxochromen-3-yl)methylideneamino]thiourea |
| InChI | InChI=1S/C11H9N3O2S.2ClH.Cu/c12-11(17)14-13-5-7-6-16-9-4-2-1-3-8(9)10(7)15;;;/h1-6H,(H3,12,14,17);2*1H;/q;;;+2/p-2/b13-5+;;; |
| InChI Key | HZRXQEVFXXQYFS-VBPDOGLUSA-L |
| MDL Number | MFCD11045145 |
| Molecular Formula | C11H9Cl2CuN3O2S |
| Molecular Weight | 381.7251 |
| SMILES | O=C1C2=CC=CC=C2OC=C1/C=[N](NC(N)=[S]3)[Cu+2]3([Cl-])[Cl-] |
| Synonyms | FPA 124,
902779-59-3,
HMS3677F22,
Dichloro[(2Z)-2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazinecarbothioamide copper complex,
AKOS024457338,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 379.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.718g/mol |
| Monoisotopic Mass | 379.909g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number