copper;10H-phenothiazine;hydrochloride

C12H10ClCuNS — CID 70634229

IUPACcopper;10H-phenothiazine;hydrochloride
SMILESCl.[Cu].c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.ClH.Cu/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;;/h1-8,13H;1H;
InChIKeyZUQQOHYIQYNTSO-UHFFFAOYSA-N
MW299.29 g/mol
LogP4.31
Rot. Bonds

About copper;10H-phenothiazine;hydrochloride

copper;10H-phenothiazine;hydrochloride (PubChem CID 70634229) has the molecular formula C12H10ClCuNS and a molecular weight of 299.29 g/mol. Its IUPAC name is copper;10H-phenothiazine;hydrochloride.

Molecular Properties

Compound Namecopper;10H-phenothiazine;hydrochloride
PubChem CID70634229
Molecular FormulaC12H10ClCuNS
Molecular Weight299.29 g/mol
Exact Mass297.95
IUPAC Namecopper;10H-phenothiazine;hydrochloride
SMILESCl.[Cu].c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.ClH.Cu/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;;/h1-8,13H;1H;
InChIKeyZUQQOHYIQYNTSO-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;10H-phenothiazine;hydrochloride?
The IUPAC name of copper;10H-phenothiazine;hydrochloride (CID 70634229) is copper;10H-phenothiazine;hydrochloride.
What is the SMILES notation for copper;10H-phenothiazine;hydrochloride?
The canonical SMILES for copper;10H-phenothiazine;hydrochloride is Cl.[Cu].c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of copper;10H-phenothiazine;hydrochloride?
The InChIKey is ZUQQOHYIQYNTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.ClH.Cu/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;;/h1-8,13H;1H;.
What are the key properties of copper;10H-phenothiazine;hydrochloride?
copper;10H-phenothiazine;hydrochloride has a molecular weight of 299.29 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;10H-phenothiazine;hydrochloride is sourced from PubChem (CID 70634229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).