CAS 18598-63-5|methyl (2R)-2-amino-3-sulfanylpropanoate hydrochloride|L-Cysteine methyl ester hydrochloride|cysteine methyl ester hydrochloride|Methyl cysteine HCl|Mecystein HCl|Actiol|L-Cysteine me...

General Information

Structure

Molecular Formula

C₄H₁₀ClNO₂S

Molecular Mass

171.6457

Exact Mass

171.01207725

Charge

InChI

InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1

InChIKey

WHOHXJZQBJXAKL-DFWYDOINSA-N

Canonic Smiles

COC(=O)[C@H](CS)N.Cl

Isomeric Smiles

C(=O)([C@@H](N)CS)OC.Cl

Calculated Properties

JChem

Acid pKa

9.958875

H Acceptors

H Donor

LogD (pH = 5.5)

-1.9473101

LogD (pH = 7.4)

-0.5501284

Log P

-0.3842653

Molar Refractivity

32.9927

Polarizability

13.479212

Polar Surface Area

52.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

methyl (2R)-2-amino-3-sulfanylpropanoate hydrochloride

Synonyms

L-Cysteine methyl ester hydrochlorideMethyl cysteine HClMecystein HClActiolL-Cysteine methyl ester hydrochlorideL-半胱氨酸甲酯盐酸盐AcdrileMethyl Cysteine HydrochlorideMethyl L-Cysteinate HydrochlorideVisclairMethyl (R)-2-Amino-3-mercaptopropanoate HydrochlorideL-Cysteine Methyl Ester Hydrochloride(R)-Cysteine Methyl Ester HydrochlorideNSC 161611PectiteMethyl β-Mercaptoalanine HydrochlorideMethyl α-Amino-β-mercaptopropionate HydrochlorideLJ 48ZeotinMecysteine Hydrochloride

IUPAC Traditional name

cysteine methyl ester hydrochloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

false

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Physical Property

140-141°C (dec.)

142 °C (dec.)(lit.)

~140 °C

[α]20/D -1.8°, c = 10 in methanol

[α]20/D -2.1±0.2°, c = 10% in methanol

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02150750

Hydrochloride
Crystalline

Sigma Aldrich

410209

Packaging
25 g in poly bottle
5 g in glass bottle

30160

Other Notes
Used e.g. in the synthesis of peptides1; Preparation of thiazolidine-4-carboxylates with carbonyl compounds2,3,4

TRC

M203100

A mucolytic. An effective drug for the treatment of liver failure. Shown to effectively inhibit the binding of ethynylestradiol metabolites to protein and nucleic acids.

Molecule Details

References

PubChem Literature

From Data Sources

• Tsukamoto, T. et al.: Oyo Yakuri, 17, 825 (1979)

• Komatsu, H. et al.: Oyo Yakuri, 19, 709 (1979)

• Bolt, H. M. et al.: J. Steroid Biochem., 5, 179 (1979)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

methyl (2R)-2-amino-3-sulfanylpropanoate hydrochloride

Synonyms

IUPAC Traditional name

cysteine methyl ester hydrochloride

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

PubChem CID

Molecule Details

Hydrochloride
Crystalline

Sigma Aldrich

410209

Packaging
25 g in poly bottle
5 g in glass bottle

30160

Other Notes
Used e.g. in the synthesis of peptides1; Preparation of thiazolidine-4-carboxylates with carbonyl compounds2,3,4

TRC

M203100

A mucolytic. An effective drug for the treatment of liver failure. Shown to effectively inhibit the binding of ethynylestradiol metabolites to protein and nucleic acids.

References

PubChem Literature

From Data Sources

• Tsukamoto, T. et al.: Oyo Yakuri, 17, 825 (1979)

• Komatsu, H. et al.: Oyo Yakuri, 19, 709 (1979)

• Bolt, H. M. et al.: J. Steroid Biochem., 5, 179 (1979)

Bioactivity

PubChem BioAssay

Properties

Safety Information

false

Download link

Physical Property

140-141°C (dec.)

142 °C (dec.)(lit.)

~140 °C

[α]20/D -1.8°, c = 10 in methanol

[α]20/D -2.1±0.2°, c = 10% in methanol

Molecule

ID:70134