1-(trichloromethylsulfanyl)-10H-phenothiazine

C13H8Cl3NS2 — CID 154397906

IUPAC1-(trichloromethylsulfanyl)-10H-phenothiazine
SMILESClC(Cl)(Cl)Sc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H8Cl3NS2/c14-13(15,16)19-11-7-3-6-10-12(11)17-8-4-1-2-5-9(8)18-10/h1-7,17H
InChIKeyBCHLTWSKHNYYEU-UHFFFAOYSA-N
MW348.71 g/mol
LogP6.31
Rot. Bonds1

About 1-(trichloromethylsulfanyl)-10H-phenothiazine

1-(trichloromethylsulfanyl)-10H-phenothiazine (PubChem CID 154397906) has the molecular formula C13H8Cl3NS2 and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(trichloromethylsulfanyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(trichloromethylsulfanyl)-10H-phenothiazine
PubChem CID154397906
Molecular FormulaC13H8Cl3NS2
Molecular Weight348.71 g/mol
Exact Mass346.92
IUPAC Name1-(trichloromethylsulfanyl)-10H-phenothiazine
SMILESClC(Cl)(Cl)Sc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H8Cl3NS2/c14-13(15,16)19-11-7-3-6-10-12(11)17-8-4-1-2-5-9(8)18-10/h1-7,17H
InChIKeyBCHLTWSKHNYYEU-UHFFFAOYSA-N
XLogP6.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.71
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dichloromethyl)-10H-phenothiazine
CID 175351816
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
1-propan-2-yl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481491
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
1,2-diphenyl-10H-phenothiazine
CID 91018279
10H-phenothiazine-1,2-diol
CID 19596784
N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine
CID 172808842
1-(4-ethenylphenyl)-10H-phenothiazine
CID 57281785
1-(2-phenylethyl)-10H-phenothiazine
CID 141163863

Frequently Asked Questions

What is the IUPAC name of 1-(trichloromethylsulfanyl)-10H-phenothiazine?
The IUPAC name of 1-(trichloromethylsulfanyl)-10H-phenothiazine (CID 154397906) is 1-(trichloromethylsulfanyl)-10H-phenothiazine.
What is the SMILES notation for 1-(trichloromethylsulfanyl)-10H-phenothiazine?
The canonical SMILES for 1-(trichloromethylsulfanyl)-10H-phenothiazine is ClC(Cl)(Cl)Sc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1-(trichloromethylsulfanyl)-10H-phenothiazine?
The InChIKey is BCHLTWSKHNYYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NS2/c14-13(15,16)19-11-7-3-6-10-12(11)17-8-4-1-2-5-9(8)18-10/h1-7,17H.
What are the key properties of 1-(trichloromethylsulfanyl)-10H-phenothiazine?
1-(trichloromethylsulfanyl)-10H-phenothiazine has a molecular weight of 348.71 g/mol, XLogP of 6.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethylsulfanyl)-10H-phenothiazine is sourced from PubChem (CID 154397906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).