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3374-22-9 molecular structure
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2-amino-3-sulfanylpropanoic acid

ChemBase ID: 149978
Molecular Formular: C3H7NO2S
Molecular Mass: 121.15818
Monoisotopic Mass: 121.01974947
SMILES and InChIs

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

Cite this record

CBID:149978 http://www.chembase.cn/molecule-149978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-sulfanylpropanoic acid
IUPAC Traditional name
cysteine
Synonyms
Cysteine
DL-Cysteine
(+/-)-Cysteine
NSC 63864
DL-Cysteine
(±)-2-Amino-3-mercaptopropionic acid
DL-Cysteine
2-Amino-3-mercaptopropanoic acid
(±)-2-氨基-3-巯基丙酸
DL-半胱氨酸
CAS Number
3374-22-9
EC Number
222-160-2
MDL Number
MFCD00004881
Beilstein Number
1721406
PubChem SID
24865621
24888553
162244140
PubChem CID
594

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 594 external link

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
~225 °C expand Show data source
225 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Harmful Harmful (Xn) 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
22 expand Show data source
22-35 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
H302-H314-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95% (RT) expand Show data source
95+% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HSCH2CH(NH2)COOH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 861677 external link
Biochem/physiol Actions
NMDA agonist that is an agonist at quisqualate receptors at high concentration.
Packaging
10, 50 g in poly bottle
Sigma Aldrich - 40912 external link
Biochem/physiol Actions
NMDA agonist that is an agonist at quisqualate receptors at high concentration.
Toronto Research Chemicals - C995015 external link
Cysteine is a non-essential amino acid that can be synthesized by the human body under normal physiological conditions if a sufficient quantity of methionine is available. Cysteine is commonly used as a precursor in the food and pharmaceutical industries.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hui, N. et al.: Meat Sci. Appl., 74 (2001)
  • • Kiviharju, K. et al.: J. Biotechnol., 117, 299 (2001)
  • • Pecivova, P. et al.: J. Sci. Food Agric., 90, 1681 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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