Home > Compound List > Compound details
1123-55-3 molecular structure
click picture or here to close

1,3-benzothiazol-7-amine

ChemBase ID: 68102
Molecular Formular: C7H6N2S
Molecular Mass: 150.20094
Monoisotopic Mass: 150.0251692
SMILES and InChIs

SMILES:
s1cnc2c1c(ccc2)N
Canonical SMILES:
Nc1cccc2c1scn2
InChI:
InChI=1S/C7H6N2S/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2
InChIKey:
ZWUIKHROIQRWGT-UHFFFAOYSA-N

Cite this record

CBID:68102 http://www.chembase.cn/molecule-68102.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-benzothiazol-7-amine
IUPAC Traditional name
1,3-benzothiazol-7-amine
Synonyms
Benzo[d]thiazol-7-amine
CAS Number
1123-55-3
MDL Number
MFCD10566715
PubChem SID
162033834
PubChem CID
12479792

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12479792 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.424345  H Acceptors
H Donor LogD (pH = 5.5) 1.2744175 
LogD (pH = 7.4) 1.284415  Log P 1.2845458 
Molar Refractivity 41.8291 cm3 Polarizability 16.760084 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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