2-chloro-10H-phenothiazine

C12H8ClNS — CID 7088

IUPAC2-chloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
InChIKeyKFZGLJSYQXZIGP-UHFFFAOYSA-N
MW233.72 g/mol
LogP4.55
Rot. Bonds

About 2-chloro-10H-phenothiazine

2-chloro-10H-phenothiazine (PubChem CID 7088) has the molecular formula C12H8ClNS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-chloro-10H-phenothiazine.

Molecular Properties

Compound Name2-chloro-10H-phenothiazine
PubChem CID7088
Molecular FormulaC12H8ClNS
Molecular Weight233.72 g/mol
Exact Mass233.01
IUPAC Name2-chloro-10H-phenothiazine
SMILESClc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
InChIKeyKFZGLJSYQXZIGP-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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Related Compounds

Phenothiazine
CID 7108
Chlorpromazine
CID 2726
Prochlorperazine
CID 4917
Chlorpromazine Hydrochloride
CID 6240
Chlorproethazine
CID 65750
N,N-Didemethylchlorpromazine
CID 74981
2-Chloro-10H-phenothiazine-10-propanenitrile
CID 98830
10H-Phenothiazine-10-propanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1)
CID 71829
2-chloro-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one
CID 315748
3-Chlorophenothiazine
CID 71017
3-Fluoro-10H-phenothiazine
CID 242838
10H-Phenothiazine-10-propanaminium, 2-chloro-N,N,N-trimethyl-, iodide (1:1)
CID 9682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10H-phenothiazine?
The IUPAC name of 2-chloro-10H-phenothiazine (CID 7088) is 2-chloro-10H-phenothiazine.
What is the SMILES notation for 2-chloro-10H-phenothiazine?
The canonical SMILES for 2-chloro-10H-phenothiazine is Clc1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 2-chloro-10H-phenothiazine?
The InChIKey is KFZGLJSYQXZIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H.
What are the key properties of 2-chloro-10H-phenothiazine?
2-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 2-chloro-10H-phenothiazine is sourced from PubChem (CID 7088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).