ethane;10H-phenothiazine

C16H21NS — CID 90730014

IUPACethane;10H-phenothiazine
SMILESCC.CC.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.2C2H6/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-2/h1-8,13H;2*1-2H3
InChIKeyZRCNUCHDXZVQSF-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.95
Rot. Bonds

About ethane;10H-phenothiazine

ethane;10H-phenothiazine (PubChem CID 90730014) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is ethane;10H-phenothiazine.

Molecular Properties

Compound Nameethane;10H-phenothiazine
PubChem CID90730014
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Nameethane;10H-phenothiazine
SMILESCC.CC.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.2C2H6/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-2/h1-8,13H;2*1-2H3
InChIKeyZRCNUCHDXZVQSF-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;10H-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 ethane;10H-phenothiazine?
The IUPAC name of ethane;10H-phenothiazine (CID 90730014) is ethane;10H-phenothiazine.
What is the SMILES notation for ethane;10H-phenothiazine?
The canonical SMILES for ethane;10H-phenothiazine is CC.CC.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of ethane;10H-phenothiazine?
The InChIKey is ZRCNUCHDXZVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.2C2H6/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-2/h1-8,13H;2*1-2H3.
What are the key properties of ethane;10H-phenothiazine?
ethane;10H-phenothiazine has a molecular weight of 259.42 g/mol, XLogP of 5.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10H-phenothiazine is sourced from PubChem (CID 90730014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).