1H-phenothiazine

C12H9NS — CID 15607651

IUPAC1H-phenothiazine
SMILESC1=CCC2=Nc3ccccc3SC2=C1
InChIInChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-8H,6H2
InChIKeyQWXDTDWOYQPERX-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.71
Rot. Bonds

About 1H-phenothiazine

1H-phenothiazine (PubChem CID 15607651) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1H-phenothiazine.

Molecular Properties

Compound Name1H-phenothiazine
PubChem CID15607651
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name1H-phenothiazine
SMILESC1=CCC2=Nc3ccccc3SC2=C1
InChIInChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-8H,6H2
InChIKeyQWXDTDWOYQPERX-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1H-phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-phenothiazine?
The IUPAC name of 1H-phenothiazine (CID 15607651) is 1H-phenothiazine.
What is the SMILES notation for 1H-phenothiazine?
The canonical SMILES for 1H-phenothiazine is C1=CCC2=Nc3ccccc3SC2=C1.
What is the InChIKey of 1H-phenothiazine?
The InChIKey is QWXDTDWOYQPERX-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/h1-5,7-8H,6H2.
What are the key properties of 1H-phenothiazine?
1H-phenothiazine has a molecular weight of 199.28 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-phenothiazine is sourced from PubChem (CID 15607651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).