carbonyl dichloride;3,4-dichloro-10H-phenothiazine

C13H7Cl4NOS — CID 22662709

IUPACcarbonyl dichloride;3,4-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1Cl)Sc1ccccc1N2.O=C(Cl)Cl
InChIInChI=1S/C12H7Cl2NS.CCl2O/c13-7-5-6-9-12(11(7)14)16-10-4-2-1-3-8(10)15-9;2-1(3)4/h1-6,15H;
InChIKeyDLSYSUJQBJIILQ-UHFFFAOYSA-N
MW367.08 g/mol
LogP6.79
Rot. Bonds

About carbonyl dichloride;3,4-dichloro-10H-phenothiazine

carbonyl dichloride;3,4-dichloro-10H-phenothiazine (PubChem CID 22662709) has the molecular formula C13H7Cl4NOS and a molecular weight of 367.08 g/mol. Its IUPAC name is carbonyl dichloride;3,4-dichloro-10H-phenothiazine.

Molecular Properties

Compound Namecarbonyl dichloride;3,4-dichloro-10H-phenothiazine
PubChem CID22662709
Molecular FormulaC13H7Cl4NOS
Molecular Weight367.08 g/mol
Exact Mass364.90
IUPAC Namecarbonyl dichloride;3,4-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1Cl)Sc1ccccc1N2.O=C(Cl)Cl
InChIInChI=1S/C12H7Cl2NS.CCl2O/c13-7-5-6-9-12(11(7)14)16-10-4-2-1-3-8(10)15-9;2-1(3)4/h1-6,15H;
InChIKeyDLSYSUJQBJIILQ-UHFFFAOYSA-N
XLogP6.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.08
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;3,4-dichloro-10H-phenothiazine?
The IUPAC name of carbonyl dichloride;3,4-dichloro-10H-phenothiazine (CID 22662709) is carbonyl dichloride;3,4-dichloro-10H-phenothiazine.
What is the SMILES notation for carbonyl dichloride;3,4-dichloro-10H-phenothiazine?
The canonical SMILES for carbonyl dichloride;3,4-dichloro-10H-phenothiazine is Clc1ccc2c(c1Cl)Sc1ccccc1N2.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;3,4-dichloro-10H-phenothiazine?
The InChIKey is DLSYSUJQBJIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NS.CCl2O/c13-7-5-6-9-12(11(7)14)16-10-4-2-1-3-8(10)15-9;2-1(3)4/h1-6,15H;.
What are the key properties of carbonyl dichloride;3,4-dichloro-10H-phenothiazine?
carbonyl dichloride;3,4-dichloro-10H-phenothiazine has a molecular weight of 367.08 g/mol, XLogP of 6.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;3,4-dichloro-10H-phenothiazine is sourced from PubChem (CID 22662709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).