phenothiazin-1-imine

C12H8N2S — CID 86103988

IUPACphenothiazin-1-imine
SMILES[H]/N=c1\cccc2sc3ccccc3nc1-2
InChIInChI=1S/C12H8N2S/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,13H/b13-8+
InChIKeySJCVTXHRNYJURK-MDWZMJQESA-N
MW212.28 g/mol
LogP2.88
Rot. Bonds

About phenothiazin-1-imine

phenothiazin-1-imine (PubChem CID 86103988) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is phenothiazin-1-imine.

Molecular Properties

Compound Namephenothiazin-1-imine
PubChem CID86103988
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Namephenothiazin-1-imine
SMILES[H]/N=c1\cccc2sc3ccccc3nc1-2
InChIInChI=1S/C12H8N2S/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,13H/b13-8+
InChIKeySJCVTXHRNYJURK-MDWZMJQESA-N
XLogP2.88
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-iminophenothiazin-3-amine
CID 71326439
dimethyl(phenothiazin-1-ylidene)azanium chloride
CID 18386396
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
phenothiazin-3-ylideneazanium
CID 88897995
zinc 1,3-benzothiazole-2-thiolate
CID 25200224
1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol
CID 58759766
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720
2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole
CID 166636791
2-(dimethylamino)-1-fluorophenothiazin-3-one
CID 123742756
CID 58036200
CID 58036200
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
2-ethyl-1,3-benzothiazole
CID 123878265

Frequently Asked Questions

What is the IUPAC name of phenothiazin-1-imine?
The IUPAC name of phenothiazin-1-imine (CID 86103988) is phenothiazin-1-imine.
What is the SMILES notation for phenothiazin-1-imine?
The canonical SMILES for phenothiazin-1-imine is [H]/N=c1\cccc2sc3ccccc3nc1-2.
What is the InChIKey of phenothiazin-1-imine?
The InChIKey is SJCVTXHRNYJURK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H8N2S/c13-8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)15-11/h1-7,13H/b13-8+.
What are the key properties of phenothiazin-1-imine?
phenothiazin-1-imine has a molecular weight of 212.28 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-1-imine is sourced from PubChem (CID 86103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).