Home > Compound List > Compound details
3427-30-3 molecular structure
click picture or here to close

2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

ChemBase ID: 17589
Molecular Formular: C10H9ClN2O2S
Molecular Mass: 256.70866
Monoisotopic Mass: 256.00732622
SMILES and InChIs

SMILES:
c12c(nc(s1)NC(=O)CCl)ccc(c2)OC
Canonical SMILES:
ClCC(=O)Nc1nc2c(s1)cc(cc2)OC
InChI:
InChI=1S/C10H9ClN2O2S/c1-15-6-2-3-7-8(4-6)16-10(12-7)13-9(14)5-11/h2-4H,5H2,1H3,(H,12,13,14)
InChIKey:
OYGSDMFSKFBVOM-UHFFFAOYSA-N

Cite this record

CBID:17589 http://www.chembase.cn/molecule-17589.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
IUPAC Traditional name
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Synonyms
2-Chloro-N-(6-methoxy-benzothiazol-2-yl)-acetamide
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CAS Number
3427-30-3
MDL Number
MFCD00452840
PubChem SID
160980896
PubChem CID
919029

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 919029 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.571005  H Acceptors
H Donor LogD (pH = 5.5) 2.4151006 
LogD (pH = 7.4) 2.4148264  Log P 2.4151046 
Molar Refractivity 62.6814 cm3 Polarizability 24.89413 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.906 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
null% 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