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

C15H16ClN3S — CID 7083

IUPAC(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride
SMILESCc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.[Cl-]
InChIInChI=1S/C15H15N3S.ClH/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;1H
InChIKeyGEDVVYWLPUPJJZ-UHFFFAOYSA-N
MW305.83 g/mol
LogP-0.67
Rot. Bonds

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

(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride (PubChem CID 7083) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride.

Molecular Properties

Compound Name(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride
PubChem CID7083
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride
SMILESCc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.[Cl-]
InChIInChI=1S/C15H15N3S.ClH/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;1H
InChIKeyGEDVVYWLPUPJJZ-UHFFFAOYSA-N
XLogP-0.67
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 5-0.67
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
CID 7084
Azure C
CID 135421845
Dimethylmethylene blue
CID 123898
New methylene blue
CID 73518
(7-Aminophenothiazin-3-ylidene)-methyl-ammonium;chloride
CID 14274776
9-N,9-N-diethyl-5-ethyliminobenzo[a]phenothiazine-1,9-diamine;hydrochloride
CID 76328926
3-Amino-7-(dimethylamino)phenothiazin-5-ium
CID 13736
C18H22ClN3S
CID 129723057
CID 16682403
CID 16682403
3,7-Bis(ethylamino)-2,8-dimethylphenothiazin-5-ium
CID 3856249
2-Methylphenothiazin-5-ium-3,7-diamine
CID 5278833

Frequently Asked Questions

What is the IUPAC name of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride?
The IUPAC name of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride (CID 7083) is (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride.
What is the SMILES notation for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride?
The canonical SMILES for (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride is Cc1cc2nc3ccc(=[N+](C)C)cc-3sc2cc1N.[Cl-].
What is the InChIKey of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride?
The InChIKey is GEDVVYWLPUPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S.ClH/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;1H.
What are the key properties of (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride?
(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride has a molecular weight of 305.83 g/mol, XLogP of -0.67, 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 chloride is sourced from PubChem (CID 7083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).