Home > Compound List > Compound details
112233-23-5 molecular structure
click picture or here to close

(2E)-2-(hydroxyimino)-N-methyl-5,6-dihydro-2H-1,4-thiazin-3-amine hydrochloride

ChemBase ID: 167693
Molecular Formular: C5H10ClN3OS
Molecular Mass: 195.6704
Monoisotopic Mass: 195.02331064
SMILES and InChIs

SMILES:
C1CS/C(=N/O)/C(=N1)NC.Cl
Canonical SMILES:
CNC1=NCCS/C/1=N/O.Cl
InChI:
InChI=1S/C5H9N3OS.ClH/c1-6-4-5(8-9)10-3-2-7-4;/h9H,2-3H2,1H3,(H,6,7);1H/b8-5+;
InChIKey:
XAOYCJOQYOBFFF-HAAWTFQLSA-N

Cite this record

CBID:167693 http://www.chembase.cn/molecule-167693.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-2-(hydroxyimino)-N-methyl-5,6-dihydro-2H-1,4-thiazin-3-amine hydrochloride
IUPAC Traditional name
(2E)-2-(hydroxyimino)-N-methyl-5,6-dihydro-1,4-thiazin-3-amine hydrochloride
Synonyms
5,6-Dihydro-3-(methylamino)-2H-1,4-thiazin-2-one Oxime Monohydrochloride
5,6-Dihydro-3-(methylamino)-2H-1,4-thiazin-2-one Oxime Hydrochloride
CAS Number
112233-23-5
PubChem SID
162261826
PubChem CID
13465004

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D449435 external link Add to cart
PubChem 13465004 external link
Data Source Data ID Price
TRC
D449435 external link Add to cart Please log in.
Data Source Data ID
PubChem 13465004 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.912966  H Acceptors
H Donor LogD (pH = 5.5) -0.91986716 
LogD (pH = 7.4) -0.05819484  Log P -0.020787558 
Molar Refractivity 41.232 cm3 Polarizability 15.633833 Å3
Polar Surface Area 56.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D449435 external link
Ranitidine HCl (R120000) impurity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wu, V., et al.: Pharmazie, 55, 508 (2000)
  • • Salameh, A., et al.: J. Food Sci., 71, E10 (2000)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle