4H-3λ4,1-benzothiazine 3-oxide

C8H7NOS — CID 158234889

IUPAC4H-3λ4,1-benzothiazine 3-oxide
SMILESO=S1C=Nc2ccccc2C1
InChIInChI=1S/C8H7NOS/c10-11-5-7-3-1-2-4-8(7)9-6-11/h1-4,6H,5H2
InChIKeyGEVMGXAZSUGAQC-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.61
Rot. Bonds

About 4H-3λ4,1-benzothiazine 3-oxide

4H-3λ4,1-benzothiazine 3-oxide (PubChem CID 158234889) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 4H-3λ4,1-benzothiazine 3-oxide.

Molecular Properties

Compound Name4H-3λ4,1-benzothiazine 3-oxide
PubChem CID158234889
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name4H-3λ4,1-benzothiazine 3-oxide
SMILESO=S1C=Nc2ccccc2C1
InChIInChI=1S/C8H7NOS/c10-11-5-7-3-1-2-4-8(7)9-6-11/h1-4,6H,5H2
InChIKeyGEVMGXAZSUGAQC-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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bicyclo[4.1.0]hepta-1,3,5-triene;methane
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2-fluoro-3H-indole
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CID 20813056
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2-(3H-pyrrol-2-yl)-3H-indole
CID 58491277
3,4-dihydroquinoline-3-carboxamide
CID 54448978
1-hydrazinylidene-1,3-benzothiazole
CID 170698611
1-methyl-3H-2,1-benzothiazole 2-oxide
CID 142822965

Frequently Asked Questions

What is the IUPAC name of 4H-3λ4,1-benzothiazine 3-oxide?
The IUPAC name of 4H-3λ4,1-benzothiazine 3-oxide (CID 158234889) is 4H-3λ4,1-benzothiazine 3-oxide.
What is the SMILES notation for 4H-3λ4,1-benzothiazine 3-oxide?
The canonical SMILES for 4H-3λ4,1-benzothiazine 3-oxide is O=S1C=Nc2ccccc2C1.
What is the InChIKey of 4H-3λ4,1-benzothiazine 3-oxide?
The InChIKey is GEVMGXAZSUGAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c10-11-5-7-3-1-2-4-8(7)9-6-11/h1-4,6H,5H2.
What are the key properties of 4H-3λ4,1-benzothiazine 3-oxide?
4H-3λ4,1-benzothiazine 3-oxide has a molecular weight of 165.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-3λ4,1-benzothiazine 3-oxide is sourced from PubChem (CID 158234889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).