Home > Compound List > Compound details
71387-69-4 molecular structure
click picture or here to close

7-ethoxy-3,4-dihydro-2H-1,4-benzothiazin-3-one

ChemBase ID: 229108
Molecular Formular: C10H11NO2S
Molecular Mass: 209.26484
Monoisotopic Mass: 209.0510496
SMILES and InChIs

SMILES:
N1c2c(SCC1=O)cc(cc2)OCC
Canonical SMILES:
CCOc1ccc2c(c1)SCC(=O)N2
InChI:
InChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-9(5-7)14-6-10(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKey:
UYUUNYNVHRTORT-UHFFFAOYSA-N

Cite this record

CBID:229108 http://www.chembase.cn/molecule-229108.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-ethoxy-3,4-dihydro-2H-1,4-benzothiazin-3-one
IUPAC Traditional name
7-ethoxy-2,4-dihydro-1,4-benzothiazin-3-one
Synonyms
7-Ethoxy-4H-benzo[1,4]thiazin-3-one
CAS Number
71387-69-4
MDL Number
MFCD00570564
PubChem SID
164285018
PubChem CID
768468

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-01317 external link Add to cart Please log in.
Data Source Data ID
PubChem 768468 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.07958  H Acceptors
H Donor LogD (pH = 5.5) 1.4283051 
LogD (pH = 7.4) 1.4283043  Log P 1.4283051 
Molar Refractivity 58.4802 cm3 Polarizability 21.891346 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.892 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle