dimethyl(phenothiazin-1-ylidene)azanium chloride

C14H13ClN2S — CID 18386396

IUPACdimethyl(phenothiazin-1-ylidene)azanium chloride
SMILESC[N+](C)=c1cccc2sc3ccccc3nc1-2.[Cl-]
InChIInChI=1S/C14H13N2S.ClH/c1-16(2)11-7-5-9-13-14(11)15-10-6-3-4-8-12(10)17-13;/h3-9H,1-2H3;1H/q+1;/p-1
InChIKeyDWCODMSGFZLEJE-UHFFFAOYSA-M
MW276.79 g/mol
LogP-0.56
Rot. Bonds

About dimethyl(phenothiazin-1-ylidene)azanium chloride

dimethyl(phenothiazin-1-ylidene)azanium chloride (PubChem CID 18386396) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is dimethyl(phenothiazin-1-ylidene)azanium chloride.

Molecular Properties

Compound Namedimethyl(phenothiazin-1-ylidene)azanium chloride
PubChem CID18386396
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Namedimethyl(phenothiazin-1-ylidene)azanium chloride
SMILESC[N+](C)=c1cccc2sc3ccccc3nc1-2.[Cl-]
InChIInChI=1S/C14H13N2S.ClH/c1-16(2)11-7-5-9-13-14(11)15-10-6-3-4-8-12(10)17-13;/h3-9H,1-2H3;1H/q+1;/p-1
InChIKeyDWCODMSGFZLEJE-UHFFFAOYSA-M
XLogP-0.56
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 5-0.56
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

phenothiazin-1-imine
CID 86103988
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
phenothiazin-3-ylideneazanium
CID 88897995
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
2-(dimethylamino)-1-fluorophenothiazin-3-one
CID 123742756
2-(3-methylbut-1-en-2-yl)-1,3-benzothiazole
CID 163918945
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
9-iminophenothiazin-3-amine
CID 71326439
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenothiazin-1-ylidene)azanium chloride?
The IUPAC name of dimethyl(phenothiazin-1-ylidene)azanium chloride (CID 18386396) is dimethyl(phenothiazin-1-ylidene)azanium chloride.
What is the SMILES notation for dimethyl(phenothiazin-1-ylidene)azanium chloride?
The canonical SMILES for dimethyl(phenothiazin-1-ylidene)azanium chloride is C[N+](C)=c1cccc2sc3ccccc3nc1-2.[Cl-].
What is the InChIKey of dimethyl(phenothiazin-1-ylidene)azanium chloride?
The InChIKey is DWCODMSGFZLEJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N2S.ClH/c1-16(2)11-7-5-9-13-14(11)15-10-6-3-4-8-12(10)17-13;/h3-9H,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethyl(phenothiazin-1-ylidene)azanium chloride?
dimethyl(phenothiazin-1-ylidene)azanium chloride has a molecular weight of 276.79 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenothiazin-1-ylidene)azanium chloride is sourced from PubChem (CID 18386396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).