Home > Compound List > Compound details
1185303-27-8 molecular structure
click picture or here to close

dimethylthieno[2,3-d][1,3]thiazol-2-amine hydrochloride

ChemBase ID: 13889
Molecular Formular: C7H9ClN2S2
Molecular Mass: 220.74276
Monoisotopic Mass: 219.98956798
SMILES and InChIs

SMILES:
Nc1sc2c(n1)sc(c2C)C.Cl
Canonical SMILES:
Nc1nc2c(s1)c(c(s2)C)C.Cl
InChI:
InChI=1S/C7H8N2S2.ClH/c1-3-4(2)10-6-5(3)11-7(8)9-6;/h1-2H3,(H2,8,9);1H
InChIKey:
BJIYDQQEUJSQRO-UHFFFAOYSA-N

Cite this record

CBID:13889 http://www.chembase.cn/molecule-13889.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethylthieno[2,3-d][1,3]thiazol-2-amine hydrochloride
IUPAC Traditional name
dimethylthieno[2,3-d][1,3]thiazol-2-amine hydrochloride
Synonyms
5,6-Dimethyl-thieno[2,3-d]thiazol-2-ylamine hydrochloride
CAS Number
1185303-27-8
MDL Number
MFCD08447196
PubChem SID
160977196
PubChem CID
45074857

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
011386 external link Add to cart Please log in.
Data Source Data ID
PubChem 45074857 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.985861  H Acceptors
H Donor LogD (pH = 5.5) 2.9956403 
LogD (pH = 7.4) 2.9962304  Log P 2.9962378 
Molar Refractivity 48.6144 cm3 Polarizability 18.29999 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
97% 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