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207121-46-8 molecular structure
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(2S)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride

ChemBase ID: 155553
Molecular Formular: C3H10ClNO3S
Molecular Mass: 175.6344
Monoisotopic Mass: 175.00699187
SMILES and InChIs

SMILES:
C([C@H](C(=O)O)N)S.O.Cl
Canonical SMILES:
N[C@@H](C(=O)O)CS.O.Cl
InChI:
InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m1../s1
InChIKey:
QIJRTFXNRTXDIP-YBBRRFGFSA-N

Cite this record

CBID:155553 http://www.chembase.cn/molecule-155553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride
IUPAC Traditional name
L cysteine hydrate hydrochloride
Synonyms
D-2-Amino-3-mercaptopropionic acid hydrochloride monohydrate
H-D-Cys-OH.HCl.H2O
D-Cysteine hydrochloride monohydrate
D-半胱氨酸盐酸盐单水化合物
D-半胱氨酸 盐酸盐 一水合物
CAS Number
207121-46-8
32443-99-5
EC Number
251-043-9
MDL Number
MFCD00150051
Beilstein Number
5645478
PubChem SID
24893006
24858186
162249691
PubChem CID
10176341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10176341 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 Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
184-186°C expand Show data source
Optical Rotation
[α]20/D -6.2±0.3°, c = 10% in 1 M HCl expand Show data source
-5.5 (c=5 in 5N HCl) 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
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
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
Gene Information
human ... NARG2(79664)mouse ... NARG2(93697)rat ... LOC686240(686240), NARG2(691379) expand Show data source
Purity
≥98% (TLC) expand Show data source
≥99.0% (RT) expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Linear Formula
HSCH2CH(NH2)COOH · HCl · H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C8005 external link
Other Notes
Unnatural isomer of cysteine.
Packaging
1 g in poly tube
250, 500 mg in poly bottle
5 g in poly bottle
Sigma Aldrich - 30140 external link
Other Notes
Unnatural isomer of cysteine.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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