(7-methylphenothiazin-3-ylidene)azanium

C13H11N2S+ — CID 59336294

IUPAC(7-methylphenothiazin-3-ylidene)azanium
SMILESCc1ccc2nc3ccc(=[NH2+])cc-3sc2c1
InChIInChI=1S/C13H10N2S/c1-8-2-4-10-12(6-8)16-13-7-9(14)3-5-11(13)15-10/h2-7,14H,1H3/p+1
InChIKeyMGNLKKHCKAZMBK-UHFFFAOYSA-O
MW227.31 g/mol
LogP1.37
Rot. Bonds

About (7-methylphenothiazin-3-ylidene)azanium

(7-methylphenothiazin-3-ylidene)azanium (PubChem CID 59336294) has the molecular formula C13H11N2S+ and a molecular weight of 227.31 g/mol. Its IUPAC name is (7-methylphenothiazin-3-ylidene)azanium.

Molecular Properties

Compound Name(7-methylphenothiazin-3-ylidene)azanium
PubChem CID59336294
Molecular FormulaC13H11N2S+
Molecular Weight227.31 g/mol
Exact Mass227.06
IUPAC Name(7-methylphenothiazin-3-ylidene)azanium
SMILESCc1ccc2nc3ccc(=[NH2+])cc-3sc2c1
InChIInChI=1S/C13H10N2S/c1-8-2-4-10-12(6-8)16-13-7-9(14)3-5-11(13)15-10/h2-7,14H,1H3/p+1
InChIKeyMGNLKKHCKAZMBK-UHFFFAOYSA-O
XLogP1.37
TPSA38.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-1,4-Benzothiazine, 3-phenyl-
CID 415876
[4-[7-(4-Aminophenyl)phenothiazin-3-ylidene]cyclohexa-2,5-dien-1-ylidene]azanium iodide
CID 145988503
2-Methylphenothiazin-5-ium-3,7-diamine
CID 5278833
1,7-Dimethyl-phenothiazone
CID 369389
3H-phenothiazine
CID 16019990
7-Methylphenothiazin-3-one
CID 20202082
2,7-Dimethyl-phenothiazone
CID 369391
7-methyl-2,3-diphenyl-2H-1,4-benzothiazine
CID 11738574
6,13-Dichloro-3,10-dimethyl-[1,4]benzothiazino[2,3-b]phenothiazine
CID 12491201
4-Methyl-2-phenylsulfanylaniline
CID 80067775
3-Iminophenothiazine
CID 71326204
2-ethyl-3-phenyl-2H-1,4-benzothiazine
CID 154198566

Frequently Asked Questions

What is the IUPAC name of (7-methylphenothiazin-3-ylidene)azanium?
The IUPAC name of (7-methylphenothiazin-3-ylidene)azanium (CID 59336294) is (7-methylphenothiazin-3-ylidene)azanium.
What is the SMILES notation for (7-methylphenothiazin-3-ylidene)azanium?
The canonical SMILES for (7-methylphenothiazin-3-ylidene)azanium is Cc1ccc2nc3ccc(=[NH2+])cc-3sc2c1.
What is the InChIKey of (7-methylphenothiazin-3-ylidene)azanium?
The InChIKey is MGNLKKHCKAZMBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10N2S/c1-8-2-4-10-12(6-8)16-13-7-9(14)3-5-11(13)15-10/h2-7,14H,1H3/p+1.
What are the key properties of (7-methylphenothiazin-3-ylidene)azanium?
(7-methylphenothiazin-3-ylidene)azanium has a molecular weight of 227.31 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylphenothiazin-3-ylidene)azanium is sourced from PubChem (CID 59336294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).