1-phenyl-10H-phenothiazine 5-oxide

C18H13NOS — CID 177311057

IUPAC1-phenyl-10H-phenothiazine 5-oxide
SMILESO=S1c2ccccc2Nc2c(-c3ccccc3)cccc21
InChIInChI=1S/C18H13NOS/c20-21-16-11-5-4-10-15(16)19-18-14(9-6-12-17(18)21)13-7-2-1-3-8-13/h1-12,19H
InChIKeyOMNQDDIPRMZLCY-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.58
Rot. Bonds1

About 1-phenyl-10H-phenothiazine 5-oxide

1-phenyl-10H-phenothiazine 5-oxide (PubChem CID 177311057) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-phenyl-10H-phenothiazine 5-oxide.

Molecular Properties

Compound Name1-phenyl-10H-phenothiazine 5-oxide
PubChem CID177311057
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name1-phenyl-10H-phenothiazine 5-oxide
SMILESO=S1c2ccccc2Nc2c(-c3ccccc3)cccc21
InChIInChI=1S/C18H13NOS/c20-21-16-11-5-4-10-15(16)19-18-14(9-6-12-17(18)21)13-7-2-1-3-8-13/h1-12,19H
InChIKeyOMNQDDIPRMZLCY-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.58
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

1-phenyl-5,10-dihydrophenazine
CID 70539713
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-10H-phenothiazine 5-oxide
CID 138723348
1-phenyl-10H-phenoxazine;hydrobromide
CID 67531032
dibenzothiophene 5-oxide
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(1S)-3-phenyl-4H-1lambda4,2,4-benzothiadiazine 1-oxide
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1-(5,10-dihydrophenazin-1-yl)-5,10-dihydrophenazine
CID 150257947
cobalt;10-oxothioxanthen-9-one
CID 158047817
1,4-diphenylbenzene;1H-indole-2,3-dione
CID 175350104
(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121278148
CID 69011285
CID 69011285
1,8-diphenylanthracene-9,10-dione
CID 12637584
4-phenyl-3H-1,2,3-benzodioxazole
CID 141035988

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10H-phenothiazine 5-oxide?
The IUPAC name of 1-phenyl-10H-phenothiazine 5-oxide (CID 177311057) is 1-phenyl-10H-phenothiazine 5-oxide.
What is the SMILES notation for 1-phenyl-10H-phenothiazine 5-oxide?
The canonical SMILES for 1-phenyl-10H-phenothiazine 5-oxide is O=S1c2ccccc2Nc2c(-c3ccccc3)cccc21.
What is the InChIKey of 1-phenyl-10H-phenothiazine 5-oxide?
The InChIKey is OMNQDDIPRMZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c20-21-16-11-5-4-10-15(16)19-18-14(9-6-12-17(18)21)13-7-2-1-3-8-13/h1-12,19H.
What are the key properties of 1-phenyl-10H-phenothiazine 5-oxide?
1-phenyl-10H-phenothiazine 5-oxide has a molecular weight of 291.38 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10H-phenothiazine 5-oxide is sourced from PubChem (CID 177311057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).