2,8-dichloro-10H-phenothiazine

C12H7Cl2NS — CID 86185921

IUPAC2,8-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1cc(Cl)ccc1S2
InChIInChI=1S/C12H7Cl2NS/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11/h1-6,15H
InChIKeyNVTQKLLSSDSJJE-UHFFFAOYSA-N
MW268.17 g/mol
LogP5.20
Rot. Bonds

About 2,8-dichloro-10H-phenothiazine

2,8-dichloro-10H-phenothiazine (PubChem CID 86185921) has the molecular formula C12H7Cl2NS and a molecular weight of 268.17 g/mol. Its IUPAC name is 2,8-dichloro-10H-phenothiazine.

Molecular Properties

Compound Name2,8-dichloro-10H-phenothiazine
PubChem CID86185921
Molecular FormulaC12H7Cl2NS
Molecular Weight268.17 g/mol
Exact Mass266.97
IUPAC Name2,8-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1cc(Cl)ccc1S2
InChIInChI=1S/C12H7Cl2NS/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11/h1-6,15H
InChIKeyNVTQKLLSSDSJJE-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.17
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-10H-phenothiazine?
The IUPAC name of 2,8-dichloro-10H-phenothiazine (CID 86185921) is 2,8-dichloro-10H-phenothiazine.
What is the SMILES notation for 2,8-dichloro-10H-phenothiazine?
The canonical SMILES for 2,8-dichloro-10H-phenothiazine is Clc1ccc2c(c1)Nc1cc(Cl)ccc1S2.
What is the InChIKey of 2,8-dichloro-10H-phenothiazine?
The InChIKey is NVTQKLLSSDSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NS/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11/h1-6,15H.
What are the key properties of 2,8-dichloro-10H-phenothiazine?
2,8-dichloro-10H-phenothiazine has a molecular weight of 268.17 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-10H-phenothiazine is sourced from PubChem (CID 86185921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).