(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium

C15H16N3S+ — CID 7084

IUPAC(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium
SMILESCc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N
InChIInChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1
InChIKeyKZEUBCUXBNEMSQ-UHFFFAOYSA-O
MW270.38 g/mol
LogP2.32
Rot. Bonds

About (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium

(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium (PubChem CID 7084) has the molecular formula C15H16N3S+ and a molecular weight of 270.38 g/mol. Its IUPAC name is (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium
PubChem CID7084
Molecular FormulaC15H16N3S+
Molecular Weight270.38 g/mol
Exact Mass270.11
IUPAC Name(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium
SMILESCc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N
InChIInChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1
InChIKeyKZEUBCUXBNEMSQ-UHFFFAOYSA-O
XLogP2.32
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Giemsa Stain
CID 13735
Tolonium chloride
CID 7083
Dimethylmethylene blue
CID 123898
azure C cation
CID 135544496
New methylene blue
CID 73518
C13H12ClN3S
CID 14274776
3-Amino-7-(dimethylamino)phenothiazin-5-ium
CID 13736
3,7-Bis(ethylamino)-2,8-dimethylphenothiazin-5-ium
CID 3856249
2-Methylphenothiazin-5-ium-3,7-diamine
CID 5278833
C18H22ClN3S
CID 129723057
CID 16682403
CID 16682403
3,7-Bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride, compound with zinc chloride
CID 21155868

Frequently Asked Questions

What is the IUPAC name of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium?
The IUPAC name of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium (CID 7084) is (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium.
What is the SMILES notation for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium?
The canonical SMILES for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium is Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.
What is the InChIKey of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium?
The InChIKey is KZEUBCUXBNEMSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1.
What are the key properties of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium?
(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium has a molecular weight of 270.38 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium is sourced from PubChem (CID 7084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).