3,7-dichloro-10H-phenothiazine;hydrochloride

C12H8Cl3NS — CID 135325177

IUPAC3,7-dichloro-10H-phenothiazine;hydrochloride
SMILESCl.Clc1ccc2c(c1)Sc1cc(Cl)ccc1N2
InChIInChI=1S/C12H7Cl2NS.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6,15H;1H
InChIKeyDTWDLXCYNINXBE-UHFFFAOYSA-N
MW304.63 g/mol
LogP5.62
Rot. Bonds

About 3,7-dichloro-10H-phenothiazine;hydrochloride

3,7-dichloro-10H-phenothiazine;hydrochloride (PubChem CID 135325177) has the molecular formula C12H8Cl3NS and a molecular weight of 304.63 g/mol. Its IUPAC name is 3,7-dichloro-10H-phenothiazine;hydrochloride.

Molecular Properties

Compound Name3,7-dichloro-10H-phenothiazine;hydrochloride
PubChem CID135325177
Molecular FormulaC12H8Cl3NS
Molecular Weight304.63 g/mol
Exact Mass302.94
IUPAC Name3,7-dichloro-10H-phenothiazine;hydrochloride
SMILESCl.Clc1ccc2c(c1)Sc1cc(Cl)ccc1N2
InChIInChI=1S/C12H7Cl2NS.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6,15H;1H
InChIKeyDTWDLXCYNINXBE-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.63
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-10H-phenothiazine;hydrochloride?
The IUPAC name of 3,7-dichloro-10H-phenothiazine;hydrochloride (CID 135325177) is 3,7-dichloro-10H-phenothiazine;hydrochloride.
What is the SMILES notation for 3,7-dichloro-10H-phenothiazine;hydrochloride?
The canonical SMILES for 3,7-dichloro-10H-phenothiazine;hydrochloride is Cl.Clc1ccc2c(c1)Sc1cc(Cl)ccc1N2.
What is the InChIKey of 3,7-dichloro-10H-phenothiazine;hydrochloride?
The InChIKey is DTWDLXCYNINXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NS.ClH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6,15H;1H.
What are the key properties of 3,7-dichloro-10H-phenothiazine;hydrochloride?
3,7-dichloro-10H-phenothiazine;hydrochloride has a molecular weight of 304.63 g/mol, XLogP of 5.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-10H-phenothiazine;hydrochloride is sourced from PubChem (CID 135325177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).