azane;10-(2-chloropropyl)phenothiazine

C15H17ClN2S — CID 70621156

IUPACazane;10-(2-chloropropyl)phenothiazine
SMILESCC(Cl)CN1c2ccccc2Sc2ccccc21.N
InChIInChI=1S/C15H14ClNS.H3N/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11H,10H2,1H3;1H3
InChIKeyZDRNZBIQZPQPEJ-UHFFFAOYSA-N
MW292.84 g/mol
LogP5.08
Rot. Bonds2

About azane;10-(2-chloropropyl)phenothiazine

azane;10-(2-chloropropyl)phenothiazine (PubChem CID 70621156) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is azane;10-(2-chloropropyl)phenothiazine.

Molecular Properties

Compound Nameazane;10-(2-chloropropyl)phenothiazine
PubChem CID70621156
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Nameazane;10-(2-chloropropyl)phenothiazine
SMILESCC(Cl)CN1c2ccccc2Sc2ccccc21.N
InChIInChI=1S/C15H14ClNS.H3N/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11H,10H2,1H3;1H3
InChIKeyZDRNZBIQZPQPEJ-UHFFFAOYSA-N
XLogP5.08
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.84
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;10-(2-chloropropyl)phenothiazine?
The IUPAC name of azane;10-(2-chloropropyl)phenothiazine (CID 70621156) is azane;10-(2-chloropropyl)phenothiazine.
What is the SMILES notation for azane;10-(2-chloropropyl)phenothiazine?
The canonical SMILES for azane;10-(2-chloropropyl)phenothiazine is CC(Cl)CN1c2ccccc2Sc2ccccc21.N.
What is the InChIKey of azane;10-(2-chloropropyl)phenothiazine?
The InChIKey is ZDRNZBIQZPQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNS.H3N/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11H,10H2,1H3;1H3.
What are the key properties of azane;10-(2-chloropropyl)phenothiazine?
azane;10-(2-chloropropyl)phenothiazine has a molecular weight of 292.84 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;10-(2-chloropropyl)phenothiazine is sourced from PubChem (CID 70621156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).