10H-phenothiazine

C12H9NS — CID 7108

💊View drug profile → phenothiazine
IUPAC10H-phenothiazine
SMILESc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKeyWJFKNYWRSNBZNX-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.89
Rot. Bonds

About 10H-phenothiazine

10H-phenothiazine (PubChem CID 7108) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 10H-phenothiazine.

Molecular Properties

Compound Name10H-phenothiazine
PubChem CID7108
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name10H-phenothiazine
SMILESc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKeyWJFKNYWRSNBZNX-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Promethazine Hydrochloride
CID 6014
(+-)-Ethopropazine
CID 3290
Promazine Hydrochloride
CID 5887
10-(2-(1-Pyrrolidinyl)ethyl)-10H-phenothiazine
CID 10646
Ethopropazine Hydrochloride
CID 122824
2-(trifluoromethyl)-10H-phenothiazine
CID 7082
2-Chlorophenothiazine
CID 7088
Fenethazine
CID 68223
Leucomethylene blue
CID 164695

Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazine?
The IUPAC name of 10H-phenothiazine (CID 7108) is 10H-phenothiazine.
What is the SMILES notation for 10H-phenothiazine?
The canonical SMILES for 10H-phenothiazine is c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazine?
The InChIKey is WJFKNYWRSNBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H.
What are the key properties of 10H-phenothiazine?
10H-phenothiazine has a molecular weight of 199.28 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazine is sourced from PubChem (CID 7108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).