Home > Compound List > Compound details
10318-18-0 molecular structure
click picture or here to close

2-amino-3-sulfanylpropanoic acid hydrochloride

ChemBase ID: 70582
Molecular Formular: C3H8ClNO2S
Molecular Mass: 157.61912
Monoisotopic Mass: 156.99642718
SMILES and InChIs

SMILES:
C(=O)(C(CS)N)O.Cl
Canonical SMILES:
NC(C(=O)O)CS.Cl
InChI:
InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H
InChIKey:
IFQSXNOEEPCSLW-UHFFFAOYSA-N

Cite this record

CBID:70582 http://www.chembase.cn/molecule-70582.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-sulfanylpropanoic acid hydrochloride
IUPAC Traditional name
cysteine hydrochloride
Synonyms
DL-2-Amino-3-mercaptopropionic acid hydrochloride
H-DL-Cys-OH.HCl
2-Amino-3-mercaptopropanoic acid hydrochloride
DL-Cysteine hydrochloride
DL-CYSTEINE HCl
DL-半胱氨酸盐酸盐
DL-半胱氨酸 盐酸盐
CAS Number
10318-18-0
EC Number
233-698-2
MDL Number
MFCD00064552
Beilstein Number
4150473
PubChem SID
24858193
24893195
162036297
PubChem CID
25150

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.3459952  H Acceptors
H Donor LogD (pH = 5.5) -2.7920592 
LogD (pH = 7.4) -2.8006835  Log P -2.7921333 
Molar Refractivity 28.2236 cm3 Polarizability 11.415023 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
140-142°C expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
IRRITANT expand Show data source
RTECS
HA2200000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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
≥95% (TLC) expand Show data source
≥97.0% (RT) expand Show data source
95+% expand Show data source
98+% expand Show data source
Grade
anhydrous expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HSCH2CH(NH2)COOH · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215647 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C9768 external link
Biochem/physiol Actions
NMDA glutamatergic receptor agonist that is also an agonist at AMPA glutamatergic receptors at high concentration.
Sigma Aldrich - 30150 external link
Biochem/physiol Actions
NMDA glutamatergic receptor agonist that is also an agonist at AMPA glutamatergic receptors at high concentration.

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