phenothiazin-3-imine

C12H8N2S — CID 71326204

IUPACphenothiazin-3-imine
SMILES[H]/N=c1\ccc2nc3ccccc3sc-2c1
InChIInChI=1S/C12H8N2S/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,13H/b13-8+
InChIKeyKZXVFCOWNJXDHR-MDWZMJQESA-N
MW212.28 g/mol
LogP2.88
Rot. Bonds

About phenothiazin-3-imine

phenothiazin-3-imine (PubChem CID 71326204) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is phenothiazin-3-imine.

Molecular Properties

Compound Namephenothiazin-3-imine
PubChem CID71326204
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Namephenothiazin-3-imine
SMILES[H]/N=c1\ccc2nc3ccccc3sc-2c1
InChIInChI=1S/C12H8N2S/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,13H/b13-8+
InChIKeyKZXVFCOWNJXDHR-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

Giemsa Stain
CID 13735
3-Imino-3H-phenothiazin-7-amine-hydrogen chloride (1:1)
CID 65043
2-(Phenylthio)aniline
CID 365393
7-Amino-3H-phenothiazin-3-iminium
CID 462371
Giemsa stain, certified by the Biological Stain Commission
CID 14274774
Thionine acetate
CID 2724414
Azure C
CID 135421845
Phenothiazone
CID 68485
2-amino-3H-phenothiazin-3-one
CID 426699
2,2'-Diaminodiphenylsulfide
CID 612177
2H-1,4-benzothiazin-3-amine
CID 820028
azure C cation
CID 135544496

Frequently Asked Questions

What is the IUPAC name of phenothiazin-3-imine?
The IUPAC name of phenothiazin-3-imine (CID 71326204) is phenothiazin-3-imine.
What is the SMILES notation for phenothiazin-3-imine?
The canonical SMILES for phenothiazin-3-imine is [H]/N=c1\ccc2nc3ccccc3sc-2c1.
What is the InChIKey of phenothiazin-3-imine?
The InChIKey is KZXVFCOWNJXDHR-MDWZMJQESA-N. The full InChI is InChI=1S/C12H8N2S/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,13H/b13-8+.
What are the key properties of phenothiazin-3-imine?
phenothiazin-3-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-3-imine is sourced from PubChem (CID 71326204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).