2,3,7,8-tetrachloro-10H-phenothiazine

C12H5Cl4NS — CID 11674456

IUPAC2,3,7,8-tetrachloro-10H-phenothiazine
SMILESClc1cc2c(cc1Cl)Sc1cc(Cl)c(Cl)cc1N2
InChIInChI=1S/C12H5Cl4NS/c13-5-1-9-11(3-7(5)15)18-12-4-8(16)6(14)2-10(12)17-9/h1-4,17H
InChIKeyGPYUHTJCAWUZGM-UHFFFAOYSA-N
MW337.06 g/mol
LogP6.51
Rot. Bonds

About 2,3,7,8-tetrachloro-10H-phenothiazine

2,3,7,8-tetrachloro-10H-phenothiazine (PubChem CID 11674456) has the molecular formula C12H5Cl4NS and a molecular weight of 337.06 g/mol. Its IUPAC name is 2,3,7,8-tetrachloro-10H-phenothiazine.

Molecular Properties

Compound Name2,3,7,8-tetrachloro-10H-phenothiazine
PubChem CID11674456
Molecular FormulaC12H5Cl4NS
Molecular Weight337.06 g/mol
Exact Mass334.89
IUPAC Name2,3,7,8-tetrachloro-10H-phenothiazine
SMILESClc1cc2c(cc1Cl)Sc1cc(Cl)c(Cl)cc1N2
InChIInChI=1S/C12H5Cl4NS/c13-5-1-9-11(3-7(5)15)18-12-4-8(16)6(14)2-10(12)17-9/h1-4,17H
InChIKeyGPYUHTJCAWUZGM-UHFFFAOYSA-N
XLogP6.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.06
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetrachloro-10H-phenothiazine?
The IUPAC name of 2,3,7,8-tetrachloro-10H-phenothiazine (CID 11674456) is 2,3,7,8-tetrachloro-10H-phenothiazine.
What is the SMILES notation for 2,3,7,8-tetrachloro-10H-phenothiazine?
The canonical SMILES for 2,3,7,8-tetrachloro-10H-phenothiazine is Clc1cc2c(cc1Cl)Sc1cc(Cl)c(Cl)cc1N2.
What is the InChIKey of 2,3,7,8-tetrachloro-10H-phenothiazine?
The InChIKey is GPYUHTJCAWUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NS/c13-5-1-9-11(3-7(5)15)18-12-4-8(16)6(14)2-10(12)17-9/h1-4,17H.
What are the key properties of 2,3,7,8-tetrachloro-10H-phenothiazine?
2,3,7,8-tetrachloro-10H-phenothiazine has a molecular weight of 337.06 g/mol, XLogP of 6.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetrachloro-10H-phenothiazine is sourced from PubChem (CID 11674456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).