| CAS Number | 34017-27-1 |
| Catalog Number | AG00CB26(AGN-PC-0O93LG) |
| Chemical Name | S-Methyl-L-cysteine methyl ester hydrochloride |
| IUPAC Name | methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride |
| InChI | InChI=1S/C5H11NO2S.ClH/c1-8-5(7)4(6)3-9-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1 |
| InChI Key | HOOBCPSLMYVDBX-WCCKRBBISA-N |
| MDL Number | MFCD07438031 |
| Molecular Formula | C5H12ClNO2S |
| Molecular Weight | 185.6723 |
| SMILES | COC([C@@H](N)CSC)=O.Cl |
| Synonyms | 34017-27-1,
S-Methyl-L-cysteine methyl ester hydrochloride,
(R)-methyl 2-amino-3-(methylthio)propanoate hydrochloride,
HeFDPJxPbHBDF^{jijBp@,
AC1MC7VQ,
SCHEMBL2132352,
methyl s-methyl-l-cysteinate hcl,
DTXSID70376764,
HOOBCPSLMYVDBX-WCCKRBBISA-N,
ZX-CM006815,
MFCD07438031,
AKOS015995558,
Methyl S-methyl-L-cysteinate hydrochloride,
DB-081416,
FT-0772023,
S-Methyl-L-cysteine methyl ester hydrochloride, 80%,
Methyl S-methyl-L-cysteinate--hydrogen chloride (1/1),
methyl (2R)-2-amino-3-methylsulfanylpropanoate hydrochloride,
CID2763147,
|
| Complexity | 97 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.666g/mol |
| Monoisotopic Mass | 185.028g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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