10-methyl-3-nitrophenothiazine

C13H10N2O2S — CID 638540

IUPAC10-methyl-3-nitrophenothiazine
SMILESCN1c2ccccc2Sc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H10N2O2S/c1-14-10-4-2-3-5-12(10)18-13-8-9(15(16)17)6-7-11(13)14/h2-8H,1H3
InChIKeyZTEFVFLYHUPQJJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.83
Rot. Bonds1

About 10-methyl-3-nitrophenothiazine

10-methyl-3-nitrophenothiazine (PubChem CID 638540) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 10-methyl-3-nitrophenothiazine.

Molecular Properties

Compound Name10-methyl-3-nitrophenothiazine
PubChem CID638540
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name10-methyl-3-nitrophenothiazine
SMILESCN1c2ccccc2Sc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H10N2O2S/c1-14-10-4-2-3-5-12(10)18-13-8-9(15(16)17)6-7-11(13)14/h2-8H,1H3
InChIKeyZTEFVFLYHUPQJJ-UHFFFAOYSA-N
XLogP3.83
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Leucomethylene blue
CID 164695
10-Methylphenothiazine
CID 71015
10-Methyl-3-phenothiazinamine
CID 717880
3-Nitro-10H-phenothiazine
CID 3838042
N-Ethylphenothiazine
CID 219178
3-iodo-7-nitro-10H-phenothiazine
CID 70686556
Trx0237
CID 23651551
10-Propylphenothiazine
CID 225110
1-(3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)ethanone
CID 19825832
10H-Phenothiazine-3,7-diamine, N3,N3,N7,N7-tetramethyl-, hydrochloride (1:2)
CID 70509067
Vjb8H6zxn3
CID 70686559
3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium
CID 75890

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-nitrophenothiazine?
The IUPAC name of 10-methyl-3-nitrophenothiazine (CID 638540) is 10-methyl-3-nitrophenothiazine.
What is the SMILES notation for 10-methyl-3-nitrophenothiazine?
The canonical SMILES for 10-methyl-3-nitrophenothiazine is CN1c2ccccc2Sc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 10-methyl-3-nitrophenothiazine?
The InChIKey is ZTEFVFLYHUPQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-14-10-4-2-3-5-12(10)18-13-8-9(15(16)17)6-7-11(13)14/h2-8H,1H3.
What are the key properties of 10-methyl-3-nitrophenothiazine?
10-methyl-3-nitrophenothiazine has a molecular weight of 258.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-nitrophenothiazine is sourced from PubChem (CID 638540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).