(7-amino-2-methylphenothiazin-3-ylidene)azanium

C13H12N3S+ — CID 5278833

IUPAC(7-amino-2-methylphenothiazin-3-ylidene)azanium
SMILESCc1cc2nc3ccc(N)cc3sc-2cc1=[NH2+]
InChIInChI=1S/C13H11N3S/c1-7-4-11-13(6-9(7)15)17-12-5-8(14)2-3-10(12)16-11/h2-6,15H,14H2,1H3/p+1
InChIKeyOXNMKPGQNOOXOY-UHFFFAOYSA-O
MW242.33 g/mol
LogP0.95
Rot. Bonds

About (7-amino-2-methylphenothiazin-3-ylidene)azanium

(7-amino-2-methylphenothiazin-3-ylidene)azanium (PubChem CID 5278833) has the molecular formula C13H12N3S+ and a molecular weight of 242.33 g/mol. Its IUPAC name is (7-amino-2-methylphenothiazin-3-ylidene)azanium.

Molecular Properties

Compound Name(7-amino-2-methylphenothiazin-3-ylidene)azanium
PubChem CID5278833
Molecular FormulaC13H12N3S+
Molecular Weight242.33 g/mol
Exact Mass242.07
IUPAC Name(7-amino-2-methylphenothiazin-3-ylidene)azanium
SMILESCc1cc2nc3ccc(N)cc3sc-2cc1=[NH2+]
InChIInChI=1S/C13H11N3S/c1-7-4-11-13(6-9(7)15)17-12-5-8(14)2-3-10(12)16-11/h2-6,15H,14H2,1H3/p+1
InChIKeyOXNMKPGQNOOXOY-UHFFFAOYSA-O
XLogP0.95
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylphenothiazin-3-ylidene)azanium?
The IUPAC name of (7-amino-2-methylphenothiazin-3-ylidene)azanium (CID 5278833) is (7-amino-2-methylphenothiazin-3-ylidene)azanium.
What is the SMILES notation for (7-amino-2-methylphenothiazin-3-ylidene)azanium?
The canonical SMILES for (7-amino-2-methylphenothiazin-3-ylidene)azanium is Cc1cc2nc3ccc(N)cc3sc-2cc1=[NH2+].
What is the InChIKey of (7-amino-2-methylphenothiazin-3-ylidene)azanium?
The InChIKey is OXNMKPGQNOOXOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11N3S/c1-7-4-11-13(6-9(7)15)17-12-5-8(14)2-3-10(12)16-11/h2-6,15H,14H2,1H3/p+1.
What are the key properties of (7-amino-2-methylphenothiazin-3-ylidene)azanium?
(7-amino-2-methylphenothiazin-3-ylidene)azanium has a molecular weight of 242.33 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylphenothiazin-3-ylidene)azanium is sourced from PubChem (CID 5278833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).