1-(dichloromethyl)-10H-phenothiazine

C13H9Cl2NS — CID 175351816

IUPAC1-(dichloromethyl)-10H-phenothiazine
SMILESClC(Cl)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9Cl2NS/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,13,16H
InChIKeyMYIHHURWNNAGQE-UHFFFAOYSA-N
MW282.20 g/mol
LogP5.37
Rot. Bonds1

About 1-(dichloromethyl)-10H-phenothiazine

1-(dichloromethyl)-10H-phenothiazine (PubChem CID 175351816) has the molecular formula C13H9Cl2NS and a molecular weight of 282.20 g/mol. Its IUPAC name is 1-(dichloromethyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(dichloromethyl)-10H-phenothiazine
PubChem CID175351816
Molecular FormulaC13H9Cl2NS
Molecular Weight282.20 g/mol
Exact Mass280.98
IUPAC Name1-(dichloromethyl)-10H-phenothiazine
SMILESClC(Cl)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9Cl2NS/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,13,16H
InChIKeyMYIHHURWNNAGQE-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.20
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481491
1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine
CID 70194126
N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine
CID 172808842
1-(trichloromethylsulfanyl)-10H-phenothiazine
CID 154397906
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
10H-phenothiazine-1-carbaldehyde
CID 12553558
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
10H-phenothiazin-1-yl formate
CID 57172562
1-(2-phenylethyl)-10H-phenothiazine
CID 141163863
boric acid;10H-phenothiazine
CID 159987394

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-10H-phenothiazine?
The IUPAC name of 1-(dichloromethyl)-10H-phenothiazine (CID 175351816) is 1-(dichloromethyl)-10H-phenothiazine.
What is the SMILES notation for 1-(dichloromethyl)-10H-phenothiazine?
The canonical SMILES for 1-(dichloromethyl)-10H-phenothiazine is ClC(Cl)c1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1-(dichloromethyl)-10H-phenothiazine?
The InChIKey is MYIHHURWNNAGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NS/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,13,16H.
What are the key properties of 1-(dichloromethyl)-10H-phenothiazine?
1-(dichloromethyl)-10H-phenothiazine has a molecular weight of 282.20 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-10H-phenothiazine is sourced from PubChem (CID 175351816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).