Home > Compound List > Compound details
623564-36-3 molecular structure
click picture or here to close

5H,6H,8H-imidazo[2,1-c][1,4]thiazine-3-carbaldehyde

ChemBase ID: 52863
Molecular Formular: C7H8N2OS
Molecular Mass: 168.21622
Monoisotopic Mass: 168.03573389
SMILES and InChIs

SMILES:
C1Cn2c(CS1)ncc2C=O
Canonical SMILES:
O=Cc1cnc2n1CCSC2
InChI:
InChI=1S/C7H8N2OS/c10-4-6-3-8-7-5-11-2-1-9(6)7/h3-4H,1-2,5H2
InChIKey:
RKHPMFNLYOWIRY-UHFFFAOYSA-N

Cite this record

CBID:52863 http://www.chembase.cn/molecule-52863.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,8H-imidazo[2,1-c][1,4]thiazine-3-carbaldehyde
IUPAC Traditional name
5H,6H,8H-imidazo[2,1-c][1,4]thiazine-3-carbaldehyde
Synonyms
6,8-Dihydro-5H-imidazo[2,1-c][1,4]thiazine-3-carbaldehyde
CAS Number
623564-36-3
MDL Number
MFCD17011834
PubChem SID
162057626
PubChem CID
11845088

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057559 external link Add to cart Please log in.
Data Source Data ID
PubChem 11845088 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.029363712  LogD (pH = 7.4) 0.015771197 
Log P 0.016384322  Molar Refractivity 45.5261 cm3
Polarizability 16.843496 Å3 Polar Surface Area 34.89 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