10,10a-dihydro-4aH-phenothiazine

C12H11NS — CID 4251215

IUPAC10,10a-dihydro-4aH-phenothiazine
SMILESC1=CC2Nc3ccccc3SC2C=C1
InChIInChI=1S/C12H11NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-9,11,13H
InChIKeyXYBUNINDJPDVKM-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.07
Rot. Bonds

About 10,10a-dihydro-4aH-phenothiazine

10,10a-dihydro-4aH-phenothiazine (PubChem CID 4251215) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 10,10a-dihydro-4aH-phenothiazine.

Molecular Properties

Compound Name10,10a-dihydro-4aH-phenothiazine
PubChem CID4251215
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name10,10a-dihydro-4aH-phenothiazine
SMILESC1=CC2Nc3ccccc3SC2C=C1
InChIInChI=1S/C12H11NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-9,11,13H
InChIKeyXYBUNINDJPDVKM-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10a-dihydro-4aH-phenothiazine?
The IUPAC name of 10,10a-dihydro-4aH-phenothiazine (CID 4251215) is 10,10a-dihydro-4aH-phenothiazine.
What is the SMILES notation for 10,10a-dihydro-4aH-phenothiazine?
The canonical SMILES for 10,10a-dihydro-4aH-phenothiazine is C1=CC2Nc3ccccc3SC2C=C1.
What is the InChIKey of 10,10a-dihydro-4aH-phenothiazine?
The InChIKey is XYBUNINDJPDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-9,11,13H.
What are the key properties of 10,10a-dihydro-4aH-phenothiazine?
10,10a-dihydro-4aH-phenothiazine has a molecular weight of 201.29 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10a-dihydro-4aH-phenothiazine is sourced from PubChem (CID 4251215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).