2,6-dichloro-10H-phenothiazine

C12H7Cl2NS — CID 121007026

IUPAC2,6-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1cccc(Cl)c1S2
InChIInChI=1S/C12H7Cl2NS/c13-7-4-5-11-10(6-7)15-9-3-1-2-8(14)12(9)16-11/h1-6,15H
InChIKeyIBDGEMKXLFCHHL-UHFFFAOYSA-N
MW268.17 g/mol
LogP5.20
Rot. Bonds

About 2,6-dichloro-10H-phenothiazine

2,6-dichloro-10H-phenothiazine (PubChem CID 121007026) has the molecular formula C12H7Cl2NS and a molecular weight of 268.17 g/mol. Its IUPAC name is 2,6-dichloro-10H-phenothiazine.

Molecular Properties

Compound Name2,6-dichloro-10H-phenothiazine
PubChem CID121007026
Molecular FormulaC12H7Cl2NS
Molecular Weight268.17 g/mol
Exact Mass266.97
IUPAC Name2,6-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1cccc(Cl)c1S2
InChIInChI=1S/C12H7Cl2NS/c13-7-4-5-11-10(6-7)15-9-3-1-2-8(14)12(9)16-11/h1-6,15H
InChIKeyIBDGEMKXLFCHHL-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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Related Compounds

2-chloro-8-fluoro-10H-phenothiazine
CID 141391219
3,7-dichloro-10H-phenothiazine;hydrochloride
CID 135325177
7-chloro-10H-phenothiazine-2-carbonitrile
CID 15925369
3-chloro-5,6-dihydrobenzo[b][1,4]benzothiazepine
CID 54220110
4-bromo-10H-phenothiazine
CID 141446923
2-methyl-10H-phenothiazine
CID 611628
carbonyl dichloride;3,4-dichloro-10H-phenothiazine
CID 22662709
2,3,7,8-tetrachloro-10H-phenothiazine
CID 11674456
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
6-chloro-4H-1,4-benzothiazine-3-thione
CID 11424466
2,3,7-trichlorothianthrene
CID 102325035
ethane;10H-phenothiazine
CID 90730014

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-10H-phenothiazine?
The IUPAC name of 2,6-dichloro-10H-phenothiazine (CID 121007026) is 2,6-dichloro-10H-phenothiazine.
What is the SMILES notation for 2,6-dichloro-10H-phenothiazine?
The canonical SMILES for 2,6-dichloro-10H-phenothiazine is Clc1ccc2c(c1)Nc1cccc(Cl)c1S2.
What is the InChIKey of 2,6-dichloro-10H-phenothiazine?
The InChIKey is IBDGEMKXLFCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NS/c13-7-4-5-11-10(6-7)15-9-3-1-2-8(14)12(9)16-11/h1-6,15H.
What are the key properties of 2,6-dichloro-10H-phenothiazine?
2,6-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 2,6-dichloro-10H-phenothiazine is sourced from PubChem (CID 121007026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).