phenothiazin-3-ylideneazanium

C12H9N2S+ — CID 88897995

IUPACphenothiazin-3-ylideneazanium
SMILES[NH2+]=c1ccc2nc3ccccc3sc-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/p+1
InChIKeyKZXVFCOWNJXDHR-UHFFFAOYSA-O
MW213.28 g/mol
LogP1.06
Rot. Bonds

About phenothiazin-3-ylideneazanium

phenothiazin-3-ylideneazanium (PubChem CID 88897995) has the molecular formula C12H9N2S+ and a molecular weight of 213.28 g/mol. Its IUPAC name is phenothiazin-3-ylideneazanium.

Molecular Properties

Compound Namephenothiazin-3-ylideneazanium
PubChem CID88897995
Molecular FormulaC12H9N2S+
Molecular Weight213.28 g/mol
Exact Mass213.05
IUPAC Namephenothiazin-3-ylideneazanium
SMILES[NH2+]=c1ccc2nc3ccccc3sc-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/p+1
InChIKeyKZXVFCOWNJXDHR-UHFFFAOYSA-O
XLogP1.06
TPSA38.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenylphenothiazin-3-imine
CID 11219951
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
acetic acid;(7-aminophenothiazin-3-ylidene)azanium;chloride
CID 87151832
hexane;phenothiazin-3-one
CID 170982113
2-(1-benzothiophen-2-yl)benzo[g]quinoline
CID 102420322
azane;5-(phenothiazin-3-ylideneamino)benzene-1,3-dicarboxylic acid
CID 173012429
1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone
CID 161044936
3-oxophenothiazine-2-carbonitrile
CID 71385021
dibutyl(phenothiazin-3-ylidene)azanium perchlorate
CID 10432510
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-butylsulfanylphenothiazin-3-one
CID 13240421
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808

Frequently Asked Questions

What is the IUPAC name of phenothiazin-3-ylideneazanium?
The IUPAC name of phenothiazin-3-ylideneazanium (CID 88897995) is phenothiazin-3-ylideneazanium.
What is the SMILES notation for phenothiazin-3-ylideneazanium?
The canonical SMILES for phenothiazin-3-ylideneazanium is [NH2+]=c1ccc2nc3ccccc3sc-2c1.
What is the InChIKey of phenothiazin-3-ylideneazanium?
The InChIKey is KZXVFCOWNJXDHR-UHFFFAOYSA-O. 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/p+1.
What are the key properties of phenothiazin-3-ylideneazanium?
phenothiazin-3-ylideneazanium has a molecular weight of 213.28 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-3-ylideneazanium is sourced from PubChem (CID 88897995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).