4-chloro-10H-phenothiazine

C12H8ClNS — CID 4521520

IUPAC4-chloro-10H-phenothiazine
SMILESClc1cccc2c1Sc1ccccc1N2
InChIInChI=1S/C12H8ClNS/c13-8-4-3-6-10-12(8)15-11-7-2-1-5-9(11)14-10/h1-7,14H
InChIKeyNZOYBWLCZWTECI-UHFFFAOYSA-N
MW233.72 g/mol
LogP4.55
Rot. Bonds

About 4-chloro-10H-phenothiazine

4-chloro-10H-phenothiazine (PubChem CID 4521520) has the molecular formula C12H8ClNS and a molecular weight of 233.72 g/mol. Its IUPAC name is 4-chloro-10H-phenothiazine.

Molecular Properties

Compound Name4-chloro-10H-phenothiazine
PubChem CID4521520
Molecular FormulaC12H8ClNS
Molecular Weight233.72 g/mol
Exact Mass233.01
IUPAC Name4-chloro-10H-phenothiazine
SMILESClc1cccc2c1Sc1ccccc1N2
InChIInChI=1S/C12H8ClNS/c13-8-4-3-6-10-12(8)15-11-7-2-1-5-9(11)14-10/h1-7,14H
InChIKeyNZOYBWLCZWTECI-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-10H-phenothiazine?
The IUPAC name of 4-chloro-10H-phenothiazine (CID 4521520) is 4-chloro-10H-phenothiazine.
What is the SMILES notation for 4-chloro-10H-phenothiazine?
The canonical SMILES for 4-chloro-10H-phenothiazine is Clc1cccc2c1Sc1ccccc1N2.
What is the InChIKey of 4-chloro-10H-phenothiazine?
The InChIKey is NZOYBWLCZWTECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNS/c13-8-4-3-6-10-12(8)15-11-7-2-1-5-9(11)14-10/h1-7,14H.
What are the key properties of 4-chloro-10H-phenothiazine?
4-chloro-10H-phenothiazine has a molecular weight of 233.72 g/mol, XLogP of 4.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-10H-phenothiazine is sourced from PubChem (CID 4521520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).