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52328-05-9 molecular structure
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bis([amino(methoxy)methylidene]azanium) sulfate

ChemBase ID: 70089
Molecular Formular: C4H14N4O6S
Molecular Mass: 246.24216
Monoisotopic Mass: 246.06340519
SMILES and InChIs

SMILES:
[NH2+]=C(OC)N.[NH2+]=C(OC)N.S(=O)(=O)([O-])[O-]
Canonical SMILES:
[O-]S(=O)(=O)[O-].COC(=[NH2+])N.COC(=[NH2+])N
InChI:
InChI=1S/2C2H6N2O.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey:
QSCPQKVWSNUJLJ-UHFFFAOYSA-N

Cite this record

CBID:70089 http://www.chembase.cn/molecule-70089.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis([amino(methoxy)methylidene]azanium) sulfate
IUPAC Traditional name
bis([amino(methoxy)methylidene]azanium) sulfate
Synonyms
O-Methylisourea hemisulfate
CAS Number
52328-05-9
PubChem SID
162035814
PubChem CID
52987645

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
075614 external link Add to cart Please log in.
Data Source Data ID
PubChem 52987645 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.777157  LogD (pH = 7.4) -2.2703793 
Log P -0.3742357  Molar Refractivity 29.7525 cm3
Polarizability 7.299756 Å3 Polar Surface Area 60.84 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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