2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde

C13H11NOS — CID 143481394

IUPAC2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
SMILESC=CC1=C(C=C)N(C=O)c2ccccc2S1
InChIInChI=1S/C13H11NOS/c1-3-10-12(4-2)16-13-8-6-5-7-11(13)14(10)9-15/h3-9H,1-2H2
InChIKeyGJFMUBCEVSXLLX-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.34
Rot. Bonds3

About 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde

2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde (PubChem CID 143481394) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
PubChem CID143481394
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
SMILESC=CC1=C(C=C)N(C=O)c2ccccc2S1
InChIInChI=1S/C13H11NOS/c1-3-10-12(4-2)16-13-8-6-5-7-11(13)14(10)9-15/h3-9H,1-2H2
InChIKeyGJFMUBCEVSXLLX-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenothiazine-10-carbaldehyde
CID 11138870
2,3-bis(ethenyl)-4-(3-methylsulfinylpropyl)-1,4-benzothiazine
CID 169247927
2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine
CID 91465268
3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine
CID 142894617
(3E)-2,3-bis(aminomethylidene)-1,4-benzothiazine-4-carbaldehyde
CID 142088493
2-ethenyl-3-[(Z)-3-methylbut-1-enyl]-1,4-benzodithiine
CID 143149796
1-phenothiazin-10-ylprop-2-en-1-one
CID 13012850
N-tert-butyl-1-phenothiazin-10-ylmethanimine
CID 13071503
2,3-bis(ethenyl)-4H-1,4-benzothiazine;molecular hydrogen
CID 142189141
10-(cyclopentadecylidenemethyl)phenothiazine
CID 86063318
2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane
CID 142894619
1-(3-methyl-1,3-benzothiazol-2-ylidene)but-3-en-2-one
CID 4702140

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde?
The IUPAC name of 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde (CID 143481394) is 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde?
The canonical SMILES for 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde is C=CC1=C(C=C)N(C=O)c2ccccc2S1.
What is the InChIKey of 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde?
The InChIKey is GJFMUBCEVSXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-3-10-12(4-2)16-13-8-6-5-7-11(13)14(10)9-15/h3-9H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde?
2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde has a molecular weight of 229.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde is sourced from PubChem (CID 143481394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).