2,3,4a,10-tetrahydrophenothiazin-4-one

C12H11NOS — CID 4159710

IUPAC2,3,4a,10-tetrahydrophenothiazin-4-one
SMILESO=C1CCC=C2Nc3ccccc3SC12
InChIInChI=1S/C12H11NOS/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13-9/h1-2,4-5,7,12-13H,3,6H2
InChIKeyMPZDAGWRNHNBRC-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.82
Rot. Bonds

About 2,3,4a,10-tetrahydrophenothiazin-4-one

2,3,4a,10-tetrahydrophenothiazin-4-one (PubChem CID 4159710) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2,3,4a,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name2,3,4a,10-tetrahydrophenothiazin-4-one
PubChem CID4159710
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2,3,4a,10-tetrahydrophenothiazin-4-one
SMILESO=C1CCC=C2Nc3ccccc3SC12
InChIInChI=1S/C12H11NOS/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13-9/h1-2,4-5,7,12-13H,3,6H2
InChIKeyMPZDAGWRNHNBRC-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 2,3,4a,10-tetrahydrophenothiazin-4-one (CID 4159710) is 2,3,4a,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 2,3,4a,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 2,3,4a,10-tetrahydrophenothiazin-4-one is O=C1CCC=C2Nc3ccccc3SC12.
What is the InChIKey of 2,3,4a,10-tetrahydrophenothiazin-4-one?
The InChIKey is MPZDAGWRNHNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-10-6-3-5-9-12(10)15-11-7-2-1-4-8(11)13-9/h1-2,4-5,7,12-13H,3,6H2.
What are the key properties of 2,3,4a,10-tetrahydrophenothiazin-4-one?
2,3,4a,10-tetrahydrophenothiazin-4-one has a molecular weight of 217.29 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 4159710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).