2,7-dichloro-10H-phenothiazine

C12H7Cl2NS — CID 23424069

IUPAC2,7-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1ccc(Cl)cc1S2
InChIInChI=1S/C12H7Cl2NS/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H
InChIKeyNDPZVIPUBSCUAW-UHFFFAOYSA-N
MW268.17 g/mol
LogP5.20
Rot. Bonds

About 2,7-dichloro-10H-phenothiazine

2,7-dichloro-10H-phenothiazine (PubChem CID 23424069) has the molecular formula C12H7Cl2NS and a molecular weight of 268.17 g/mol. Its IUPAC name is 2,7-dichloro-10H-phenothiazine.

Molecular Properties

Compound Name2,7-dichloro-10H-phenothiazine
PubChem CID23424069
Molecular FormulaC12H7Cl2NS
Molecular Weight268.17 g/mol
Exact Mass266.97
IUPAC Name2,7-dichloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1ccc(Cl)cc1S2
InChIInChI=1S/C12H7Cl2NS/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H
InChIKeyNDPZVIPUBSCUAW-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 2,7-dichloro-10H-phenothiazine?
The IUPAC name of 2,7-dichloro-10H-phenothiazine (CID 23424069) is 2,7-dichloro-10H-phenothiazine.
What is the SMILES notation for 2,7-dichloro-10H-phenothiazine?
The canonical SMILES for 2,7-dichloro-10H-phenothiazine is Clc1ccc2c(c1)Nc1ccc(Cl)cc1S2.
What is the InChIKey of 2,7-dichloro-10H-phenothiazine?
The InChIKey is NDPZVIPUBSCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NS/c13-7-2-4-11-10(5-7)15-9-3-1-8(14)6-12(9)16-11/h1-6,15H.
What are the key properties of 2,7-dichloro-10H-phenothiazine?
2,7-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 2,7-dichloro-10H-phenothiazine is sourced from PubChem (CID 23424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).