9-iminophenothiazin-3-amine

C12H9N3S — CID 71326439

IUPAC9-iminophenothiazin-3-amine
SMILES[H]/N=c1\cccc2sc3cc(N)ccc3nc1-2
InChIInChI=1S/C12H9N3S/c13-7-4-5-9-11(6-7)16-10-3-1-2-8(14)12(10)15-9/h1-6,14H,13H2/b14-8+
InChIKeyMHJJBZMYDJZOPL-RIYZIHGNSA-N
MW227.29 g/mol
LogP2.46
Rot. Bonds

About 9-iminophenothiazin-3-amine

9-iminophenothiazin-3-amine (PubChem CID 71326439) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 9-iminophenothiazin-3-amine.

Molecular Properties

Compound Name9-iminophenothiazin-3-amine
PubChem CID71326439
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name9-iminophenothiazin-3-amine
SMILES[H]/N=c1\cccc2sc3cc(N)ccc3nc1-2
InChIInChI=1S/C12H9N3S/c13-7-4-5-9-11(6-7)16-10-3-1-2-8(14)12(10)15-9/h1-6,14H,13H2/b14-8+
InChIKeyMHJJBZMYDJZOPL-RIYZIHGNSA-N
XLogP2.46
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenothiazin-1-imine
CID 86103988
9-aminobenzo[a]phenothiazin-5-one
CID 58773564
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride
CID 13735
(1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol
CID 40579547
CID 143962463
CID 143962463
2-(phenylsulfanylmethyl)-1,3-benzothiazol-6-amine
CID 79206609
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-(6-amino-1,3-benzothiazol-2-yl)guanidine
CID 130005649
2-[(3-bromophenyl)methyl]-1,3-benzothiazol-6-amine
CID 66204024
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152

Frequently Asked Questions

What is the IUPAC name of 9-iminophenothiazin-3-amine?
The IUPAC name of 9-iminophenothiazin-3-amine (CID 71326439) is 9-iminophenothiazin-3-amine.
What is the SMILES notation for 9-iminophenothiazin-3-amine?
The canonical SMILES for 9-iminophenothiazin-3-amine is [H]/N=c1\cccc2sc3cc(N)ccc3nc1-2.
What is the InChIKey of 9-iminophenothiazin-3-amine?
The InChIKey is MHJJBZMYDJZOPL-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H9N3S/c13-7-4-5-9-11(6-7)16-10-3-1-2-8(14)12(10)15-9/h1-6,14H,13H2/b14-8+.
What are the key properties of 9-iminophenothiazin-3-amine?
9-iminophenothiazin-3-amine has a molecular weight of 227.29 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iminophenothiazin-3-amine is sourced from PubChem (CID 71326439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).