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7048/4/6 molecular structure
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(2R)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride

ChemBase ID: 796528
Molecular Formular: C3H10ClNO3S
Molecular Mass: 175.6344
Monoisotopic Mass: 175.00699187
SMILES and InChIs

SMILES:
Cl.C(=O)([C@H](CS)N)O.O
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-;;/m0../s1
InChIKey:
QIJRTFXNRTXDIP-JIZZDEOASA-N

Cite this record

CBID:796528 http://www.chembase.cn/molecule-796528.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-sulfanylpropanoic acid hydrate hydrochloride
IUPAC Traditional name
L-cysteine hydrate hydrochloride
Synonyms
(R)-2-AMino-3-Mercaptopropanoic acid hydrochloride hydrate
CAS Number
7048/4/6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3208 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3208 external link Add to cart Please log in.
Data Source Data ID

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

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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