2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine

C10H8N2S — CID 139938587

IUPAC2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine
SMILESN=C=C=S1NC=Cc2ccccc21
InChIInChI=1S/C10H8N2S/c11-6-8-13-10-4-2-1-3-9(10)5-7-12-13/h1-5,7,11-12H
InChIKeyWSQQJIGHAPFGPY-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.01
Rot. Bonds

About 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine

2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine (PubChem CID 139938587) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine.

Molecular Properties

Compound Name2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine
PubChem CID139938587
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine
SMILESN=C=C=S1NC=Cc2ccccc21
InChIInChI=1S/C10H8N2S/c11-6-8-13-10-4-2-1-3-9(10)5-7-12-13/h1-5,7,11-12H
InChIKeyWSQQJIGHAPFGPY-UHFFFAOYSA-N
XLogP2.01
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine?
The IUPAC name of 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine (CID 139938587) is 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine.
What is the SMILES notation for 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine?
The canonical SMILES for 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine is N=C=C=S1NC=Cc2ccccc21.
What is the InChIKey of 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine?
The InChIKey is WSQQJIGHAPFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c11-6-8-13-10-4-2-1-3-9(10)5-7-12-13/h1-5,7,11-12H.
What are the key properties of 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine?
2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine has a molecular weight of 188.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1λ4,2-benzothiazin-1-ylidene)ethenimine is sourced from PubChem (CID 139938587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).