1-ethenylidene-2H-1λ4,2-benzothiazine

C10H9NS — CID 142032273

IUPAC1-ethenylidene-2H-1λ4,2-benzothiazine
SMILESC=C=S1NC=Cc2ccccc21
InChIInChI=1S/C10H9NS/c1-2-12-10-6-4-3-5-9(10)7-8-11-12/h3-8,11H,1H2
InChIKeyCXWHVMJFUZSEIW-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.39
Rot. Bonds

About 1-ethenylidene-2H-1λ4,2-benzothiazine

1-ethenylidene-2H-1λ4,2-benzothiazine (PubChem CID 142032273) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-ethenylidene-2H-1λ4,2-benzothiazine.

Molecular Properties

Compound Name1-ethenylidene-2H-1λ4,2-benzothiazine
PubChem CID142032273
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name1-ethenylidene-2H-1λ4,2-benzothiazine
SMILESC=C=S1NC=Cc2ccccc21
InChIInChI=1S/C10H9NS/c1-2-12-10-6-4-3-5-9(10)7-8-11-12/h3-8,11H,1H2
InChIKeyCXWHVMJFUZSEIW-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylidene-2H-1λ4,2-benzothiazine?
The IUPAC name of 1-ethenylidene-2H-1λ4,2-benzothiazine (CID 142032273) is 1-ethenylidene-2H-1λ4,2-benzothiazine.
What is the SMILES notation for 1-ethenylidene-2H-1λ4,2-benzothiazine?
The canonical SMILES for 1-ethenylidene-2H-1λ4,2-benzothiazine is C=C=S1NC=Cc2ccccc21.
What is the InChIKey of 1-ethenylidene-2H-1λ4,2-benzothiazine?
The InChIKey is CXWHVMJFUZSEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-12-10-6-4-3-5-9(10)7-8-11-12/h3-8,11H,1H2.
What are the key properties of 1-ethenylidene-2H-1λ4,2-benzothiazine?
1-ethenylidene-2H-1λ4,2-benzothiazine has a molecular weight of 175.26 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylidene-2H-1λ4,2-benzothiazine is sourced from PubChem (CID 142032273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).