dimethyl-(7-methylphenothiazin-3-ylidene)azanium

C15H15N2S+ — CID 59672203

IUPACdimethyl-(7-methylphenothiazin-3-ylidene)azanium
SMILESCc1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
InChIInChI=1S/C15H15N2S/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9H,1-3H3/q+1
InChIKeyXETDNLRCMVMTOR-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.74
Rot. Bonds

About dimethyl-(7-methylphenothiazin-3-ylidene)azanium

dimethyl-(7-methylphenothiazin-3-ylidene)azanium (PubChem CID 59672203) has the molecular formula C15H15N2S+ and a molecular weight of 255.37 g/mol. Its IUPAC name is dimethyl-(7-methylphenothiazin-3-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(7-methylphenothiazin-3-ylidene)azanium
PubChem CID59672203
Molecular FormulaC15H15N2S+
Molecular Weight255.37 g/mol
Exact Mass255.10
IUPAC Namedimethyl-(7-methylphenothiazin-3-ylidene)azanium
SMILESCc1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
InChIInChI=1S/C15H15N2S/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9H,1-3H3/q+1
InChIKeyXETDNLRCMVMTOR-UHFFFAOYSA-N
XLogP2.74
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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
1,7-Dimethyl-phenothiazone
CID 369389
3,6-Bis(dimethylamino)thioxanthylium
CID 107814
7-Methylphenothiazin-3-one
CID 20202082
2,7-Dimethyl-phenothiazone
CID 369391
{4-[(1E)-2-(2,2-dimethyl(3H-benzo[b]1,4-thiazepin-4-yl))vinyl]phenyl}dimethyla mine
CID 6241225
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
2-ethyl-3-phenyl-2H-1,4-benzothiazine
CID 154198566
3-(4'-trifluoromethylphenylimino)-3H-phenothiazine
CID 10150159
3-methylsulfanyl-7-(trifluoromethyl)-2H-1,4-benzothiazine
CID 20072348

Frequently Asked Questions

What is the IUPAC name of dimethyl-(7-methylphenothiazin-3-ylidene)azanium?
The IUPAC name of dimethyl-(7-methylphenothiazin-3-ylidene)azanium (CID 59672203) is dimethyl-(7-methylphenothiazin-3-ylidene)azanium.
What is the SMILES notation for dimethyl-(7-methylphenothiazin-3-ylidene)azanium?
The canonical SMILES for dimethyl-(7-methylphenothiazin-3-ylidene)azanium is Cc1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.
What is the InChIKey of dimethyl-(7-methylphenothiazin-3-ylidene)azanium?
The InChIKey is XETDNLRCMVMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2S/c1-10-4-6-12-14(8-10)18-15-9-11(17(2)3)5-7-13(15)16-12/h4-9H,1-3H3/q+1.
What are the key properties of dimethyl-(7-methylphenothiazin-3-ylidene)azanium?
dimethyl-(7-methylphenothiazin-3-ylidene)azanium has a molecular weight of 255.37 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(7-methylphenothiazin-3-ylidene)azanium is sourced from PubChem (CID 59672203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).