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3724-89-8 molecular structure
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sodium hydrogen [(2-aminoethyl)sulfanyl]phosphonate

ChemBase ID: 130733
Molecular Formular: C2H7NNaO3PS
Molecular Mass: 179.110411
Monoisotopic Mass: 178.978195
SMILES and InChIs

SMILES:
C(CSP(=O)(O)[O-])N.[Na+]
Canonical SMILES:
[O-]P(=O)(SCCN)O.[Na+]
InChI:
InChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p-1
InChIKey:
VZEGNYNPDZDIRW-UHFFFAOYSA-M

Cite this record

CBID:130733 http://www.chembase.cn/molecule-130733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium hydrogen [(2-aminoethyl)sulfanyl]phosphonate
IUPAC Traditional name
sodium hydrogen (2-aminoethyl)sulfanylphosphonate
Synonyms
Cysteamine S-phosphate sodium salt
S-(2-氨基乙基)硫代磷酸盐 单钠盐
半胱胺S-磷酸盐 钠盐
CAS Number
3724-89-8
EC Number
223-079-5
MDL Number
MFCD00038474
PubChem SID
24893059
162225011
PubChem CID
23664253

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23664253 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0519452  H Acceptors
H Donor LogD (pH = 5.5) -2.202093 
LogD (pH = 7.4) -2.845599  Log P -2.187846 
Molar Refractivity 32.5716 cm3 Polarizability 13.274313 Å3
Polar Surface Area 86.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
220 °C (dec.)(lit.) expand Show data source
RTECS
TE6483500 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
H2NCH2CH2SP(O)(OH)ONa expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 277800 external link
Packaging
50 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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